![4-methyl-2-[6,13,15-trioxo-9-(pyridin-3-yl)-3,7-dithia-5,14-diazapentacyclo[9.5.1.0^{2,10}.0^{4,8}.0^{12,16}]heptadec-4(8)-en-14-yl]pentanoic acid structure](/static/products/1025/1025019-19-5.webp)
4-methyl-2-[6,13,15-trioxo-9-(pyridin-3-yl)-3,7-dithia-5,14-diazapentacyclo[9.5.1.0^{2,10}.0^{4,8}.0^{12,16}]heptadec-4(8)-en-14-yl]pentanoic acid
TL;DR: 4-methyl-2-[6,13,15-trioxo-9-(pyridin-3-yl)-3,7-dithia-5,14-diazapentacyclo[9.5.1.0^{2,10}.0^{4,8}.0^{12,16}]heptadec-4(8)-en-14-yl]pentanoic acid (CAS 1025019-19-5) is a chemical compound with molecular formula C24H25N3O5S2 and molecular weight 499.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-2-(6,13,15-trioxo-9-pyridin-3-yl-3,7-dithia-5,14-diazapentacyclo[9.5.1.02,10.04,8.012,16]heptadec-4(8)-en-14-yl)pentanoic acid
Also Known As: 4-methyl-2-[6,13,15-trioxo-9-(pyridin-3-yl)-3,7-dithia-5,14-diazapentacyclo[9.5.1.0^{2,10}.0^{4,8}.0^{12,16}]heptadec-4(8)-en-14-yl]pentanoic acid, 4-methyl-2-((4aR,5R,5aR,8aR,9S)-2,6,8-trioxo-10-(pyridin-3-yl)-2,3,4a,5,5a,6,8a,9,9a,10-decahydro-5,9-methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(8H)-yl)pentanoic acid, 4-methyl-2-(6,13,15-trioxo-3-(3-pyridyl)-5,9-dithia-7,14-diazapentacyclo[9.5.1 .0<2,10>.0<4,8>.0<12,16>]heptadec-4(8)-en-14-yl)pentanoic acid, 4-METHYL-2-[2,6,8-TRIOXO-10-(3-PYRIDINYL)-3,4A,5,5A,6,8,8A,9,9A,10-DECAHYDRO-5,9-METHANO[1,3]THIAZOLO[5',4':5,6]THIOPYRANO[2,3-F]ISOINDOL-7(2H)-YL]PENTANOIC ACID, 4-methyl-2-[2,6,8-trioxo-10-(pyridin-3-yl)-3,4a,5,5a,6,8,8a,9,9a,10-decahydro-5,9-methano[1,3]thiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(2H)-yl]pentanoic acid
| Molecular Formula | C24H25N3O5S2 |
|---|---|
| Molecular Weight | 499.12 g/mol |
| LogP | 2.804 |
| Topological Polar Surface Area | 120.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 499.12357 |
| Heavy Atoms | 34 |
| Complexity | 1240.7332 |
Chemical Identifiers
| CAS Number | 1025019-19-5 |
|---|---|
| SMILES | CC(C)CC(C(=O)O)N1C(=O)C2C3CC(C2C1=O)C4C3C(C5=C(S4)NC(=O)S5)C6=CN=CC=C6 |
Product Overview
4-methyl-2-[6,13,15-trioxo-9-(pyridin-3-yl)-3,7-dithia-5,14-diazapentacyclo[9.5.1.0^{2,10}.0^{4,8}.0^{12,16}]heptadec-4(8)-en-14-yl]pentanoic acid (CAS 1025019-19-5), with molecular formula C24H25N3O5S2 and molecular weight 499.12 g/mol. IUPAC: 4-methyl-2-(6,13,15-trioxo-9-pyridin-3-yl-3,7-dithia-5,14-diazapentacyclo[9.5.1.02,10.04,8.012,16]heptadec-4(8)-en-14-yl)pentanoic acid.
Chemical Property Profile of 4-methyl-2-[6,13,15-trioxo-9-(pyridin-3-yl)-3,7-dithia-5,14-diazapentacyclo[9.5.1.0^{2,10}.0^{4,8}.0^{12,16}]heptadec-4(8)-en-14-yl]pentanoic acid
Property Insights of 4-methyl-2-[6,13,15-trioxo-9-(pyridin-3-yl)-3,7-dithia-5,14-diazapentacyclo[9.5.1.0^{2,10}.0^{4,8}.0^{12,16}]heptadec-4(8)-en-14-yl]pentanoic acid
The XLogP value of 2.804 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-methyl-2-[6,13,15-trioxo-9-(pyridin-3-yl)-3,7-dithia-5,14-diazapentacyclo[9.5.1.0^{2,10}.0^{4,8}.0^{12,16}]heptadec-4(8)-en-14-yl]pentanoic acid. The TPSA of 120.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-methyl-2-[6,13,15-trioxo-9-(pyridin-3-yl)-3,7-dithia-5,14-diazapentacyclo[9.5.1.0^{2,10}.0^{4,8}.0^{12,16}]heptadec-4(8)-en-14-yl]pentanoic acid. Following Lipinski's Rule of Five, 4-methyl-2-[6,13,15-trioxo-9-(pyridin-3-yl)-3,7-dithia-5,14-diazapentacyclo[9.5.1.0^{2,10}.0^{4,8}.0^{12,16}]heptadec-4(8)-en-14-yl]pentanoic acid has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-methyl-2-[6,13,15-trioxo-9-(pyridin-3-yl)-3,7-dithia-5,14-diazapentacyclo[9.5.1.0^{2,10}.0^{4,8}.0^{12,16}]heptadec-4(8)-en-14-yl]pentanoic acid?
The CAS number of 4-methyl-2-[6,13,15-trioxo-9-(pyridin-3-yl)-3,7-dithia-5,14-diazapentacyclo[9.5.1.0^{2,10}.0^{4,8}.0^{12,16}]heptadec-4(8)-en-14-yl]pentanoic acid is 1025019-19-5.
What is the molecular formula of 4-methyl-2-[6,13,15-trioxo-9-(pyridin-3-yl)-3,7-dithia-5,14-diazapentacyclo[9.5.1.0^{2,10}.0^{4,8}.0^{12,16}]heptadec-4(8)-en-14-yl]pentanoic acid?
The molecular formula of 4-methyl-2-[6,13,15-trioxo-9-(pyridin-3-yl)-3,7-dithia-5,14-diazapentacyclo[9.5.1.0^{2,10}.0^{4,8}.0^{12,16}]heptadec-4(8)-en-14-yl]pentanoic acid is C24H25N3O5S2.
What is the molecular weight of 4-methyl-2-[6,13,15-trioxo-9-(pyridin-3-yl)-3,7-dithia-5,14-diazapentacyclo[9.5.1.0^{2,10}.0^{4,8}.0^{12,16}]heptadec-4(8)-en-14-yl]pentanoic acid?
The molecular weight of 4-methyl-2-[6,13,15-trioxo-9-(pyridin-3-yl)-3,7-dithia-5,14-diazapentacyclo[9.5.1.0^{2,10}.0^{4,8}.0^{12,16}]heptadec-4(8)-en-14-yl]pentanoic acid is 499.12 g/mol.
Where can I buy 4-methyl-2-[6,13,15-trioxo-9-(pyridin-3-yl)-3,7-dithia-5,14-diazapentacyclo[9.5.1.0^{2,10}.0^{4,8}.0^{12,16}]heptadec-4(8)-en-14-yl]pentanoic acid?
You can request a quote for 4-methyl-2-[6,13,15-trioxo-9-(pyridin-3-yl)-3,7-dithia-5,14-diazapentacyclo[9.5.1.0^{2,10}.0^{4,8}.0^{12,16}]heptadec-4(8)-en-14-yl]pentanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-methyl-2-[6,13,15-trioxo-9-(pyridin-3-yl)-3,7-dithia-5,14-diazapentacyclo[9.5.1.0^{2,10}.0^{4,8}.0^{12,16}]heptadec-4(8)-en-14-yl]pentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-methyl-2-[6,13,15-trioxo-9-(pyridin-3-yl)-3,7-dithia-5,14-diazapentacyclo[9.5.1.0^{2,10}.0^{4,8}.0^{12,16}]heptadec-4(8)-en-14-yl]pentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.