Compound NP-013746
TL;DR: Compound NP-013746 (CAS 27482-50-4) is a chemical compound with molecular formula C30H49N5O9 and molecular weight 623.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(16-butan-2-yl-10,11,14-trimethyl-2,5,9,12,15,18-hexaoxo-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosan-3-yl)-2-methylpropanoic acid
Also Known As: Compound NP-013746, 3-(1-Carboxyethyl)cyclo[D-Lac-L-Pro-L-Ile-N-methyl-L-Val-N-methyl-L-Ala-betaAla-], 3-(16-butan-2-yl-10,11,14-trimethyl-2,5,9,12,15,18-hexaoxo-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosan-3-yl)-2-methylpropanoic acid, 3-[3-(Butan-2-yl)-1,10-dihydroxy-5,8,9-trimethyl-4,7,14,17-tetraoxo-6-(propan-2-yl)-3,4,5,6,7,8,9,12,13,14,16,17,19,20,21,21a-hexadecahydropyrrolo[1,2-d][1,4,7,10,13,16]oxapentaazacyclononadecin-16-yl]-2-methylpropanoic acid
| Molecular Formula | C30H49N5O9 |
|---|---|
| Molecular Weight | 623.35 g/mol |
| LogP | 0.3807 |
| Topological Polar Surface Area | 182.73 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 623.353 |
| Heavy Atoms | 44 |
| Complexity | 1112.4658 |
Chemical Identifiers
| CAS Number | 27482-50-4 |
|---|---|
| SMILES | CCC(C)C1C(=O)N(C(C(=O)N(C(C(=O)NCCC(=O)OC(C(=O)N2CCCC2C(=O)N1)CC(C)C(=O)O)C)C)C(C)C)C |
Product Overview
Compound NP-013746 (CAS 27482-50-4), with molecular formula C30H49N5O9 and molecular weight 623.35 g/mol. IUPAC: 3-(16-butan-2-yl-10,11,14-trimethyl-2,5,9,12,15,18-hexaoxo-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosan-3-yl)-2-methylpropanoic acid.
Chemical Property Profile of Compound NP-013746
Property Insights of Compound NP-013746
The XLogP value of 0.3807 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Compound NP-013746. The TPSA of 182.73 Ų indicates high polarity, suggesting Compound NP-013746 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Compound NP-013746 has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Compound NP-013746?
The CAS number of Compound NP-013746 is 27482-50-4.
What is the molecular formula of Compound NP-013746?
The molecular formula of Compound NP-013746 is C30H49N5O9.
What is the molecular weight of Compound NP-013746?
The molecular weight of Compound NP-013746 is 623.35 g/mol.
Where can I buy Compound NP-013746?
You can request a quote for Compound NP-013746 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Compound NP-013746?
Yes, KEHONG BIO provides custom synthesis services for Compound NP-013746 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.