茉莉素匹利肽
TL;DR: 茉莉素匹利肽 (CAS 102396-24-7) is a chemical compound with molecular formula C36H45BrN4O6 and molecular weight 708.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
茉莉素匹利肽
7-[(2-bromo-1H-indol-3-yl)methyl]-4-(4-hydroxyphenyl)-8,10,13,15,17,19-hexamethyl-1-oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetrone
Also Known As: jasplakinolide, Jaspamide, NCI60_004884, 7-[(2-bromo-1H-indol-3-yl)methyl]-4-(4-hydroxyphenyl)-8,10,13,15,17,19-hexamethyl-1-oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetrone, (3S,6R,9R,13S,15R,16E,19S)-3,5,13,15,17,19-Hexamethyl-6-[(2-bromo-1H-indole-3-yl)methyl]-9-(4-hydroxyphenyl)-12-oxa-2,5,8-triazacyclononadeca-16-ene-1,4,7,11-tetraone
| Molecular Formula | C36H45BrN4O6 |
|---|---|
| Molecular Weight | 708.25 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 708.25226 |
| Heavy Atoms | 47 |
| Complexity | 1140.0 |
Chemical Identifiers
| CAS Number | 102396-24-7 |
|---|---|
| SMILES | CC1CC(OC(=O)CC(NC(=O)C(N(C(=O)C(NC(=O)C(CC(=C1)C)C)C)C)CC2=C(NC3=CC=CC=C32)Br)C4=CC=C(C=C4)O)C |
| InChIKey | GQWYWHOHRVVHAP-UHFFFAOYSA-N |
Product Overview
茉莉素匹利肽 (CAS 102396-24-7), with molecular formula C36H45BrN4O6 and molecular weight 708.25 g/mol. IUPAC: 7-[(2-bromo-1H-indol-3-yl)methyl]-4-(4-hydroxyphenyl)-8,10,13,15,17,19-hexamethyl-1-oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetrone.
Chemical Property Profile of 茉莉素匹利肽
Property Insights of 茉莉素匹利肽
The XLogP value of 5.6 indicates that 茉莉素匹利肽 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.0 Ų indicates high polarity, suggesting 茉莉素匹利肽 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 茉莉素匹利肽 has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 茉莉素匹利肽?
The CAS number of 茉莉素匹利肽 is 102396-24-7.
What is the molecular formula of 茉莉素匹利肽?
The molecular formula of 茉莉素匹利肽 is C36H45BrN4O6.
What is the molecular weight of 茉莉素匹利肽?
The molecular weight of 茉莉素匹利肽 is 708.25 g/mol.
Where can I buy 茉莉素匹利肽?
You can request a quote for 茉莉素匹利肽 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 茉莉素匹利肽?
Yes, KEHONG BIO provides custom synthesis services for 茉莉素匹利肽 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.