6-Octenoic acid,2,2-dibromo-3-oxo-,ethyl ester
TL;DR: 6-Octenoic acid,2,2-dibromo-3-oxo-,ethyl ester (CAS 92123-22-3) is a chemical compound with molecular formula C22H25N7O4 and molecular weight 451.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide
Also Known As: 6-Octenoic acid,2,2-dibromo-3-oxo-,ethyl ester, N-(2-(1H-Indol-3-yl)ethyl)-3-(5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)propanamide, 3-[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide, 3-[5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide, 3-[5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide
| Molecular Formula | C22H25N7O4 |
|---|---|
| Molecular Weight | 451.20 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 164.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 451.1968 |
| Heavy Atoms | 33 |
| Complexity | 687.0 |
Chemical Identifiers
| CAS Number | 92123-22-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)CCNC(=O)CCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)O)O |
| InChIKey | GNQXYQGTRUWNKC-UHFFFAOYSA-N |
Product Overview
6-Octenoic acid,2,2-dibromo-3-oxo-,ethyl ester (CAS 92123-22-3), with molecular formula C22H25N7O4 and molecular weight 451.20 g/mol. IUPAC: 3-[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide.
Chemical Property Profile of 6-Octenoic acid,2,2-dibromo-3-oxo-,ethyl ester
Property Insights of 6-Octenoic acid,2,2-dibromo-3-oxo-,ethyl ester
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Octenoic acid,2,2-dibromo-3-oxo-,ethyl ester. The TPSA of 164.0 Ų indicates high polarity, suggesting 6-Octenoic acid,2,2-dibromo-3-oxo-,ethyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6-Octenoic acid,2,2-dibromo-3-oxo-,ethyl ester has 5 hydrogen bond donor(s) and 8 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 6-Octenoic acid,2,2-dibromo-3-oxo-,ethyl ester?
The CAS number of 6-Octenoic acid,2,2-dibromo-3-oxo-,ethyl ester is 92123-22-3.
What is the molecular formula of 6-Octenoic acid,2,2-dibromo-3-oxo-,ethyl ester?
The molecular formula of 6-Octenoic acid,2,2-dibromo-3-oxo-,ethyl ester is C22H25N7O4.
What is the molecular weight of 6-Octenoic acid,2,2-dibromo-3-oxo-,ethyl ester?
The molecular weight of 6-Octenoic acid,2,2-dibromo-3-oxo-,ethyl ester is 451.20 g/mol.
Where can I buy 6-Octenoic acid,2,2-dibromo-3-oxo-,ethyl ester?
You can request a quote for 6-Octenoic acid,2,2-dibromo-3-oxo-,ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Octenoic acid,2,2-dibromo-3-oxo-,ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 6-Octenoic acid,2,2-dibromo-3-oxo-,ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.