AB01236142-03
TL;DR: AB01236142-03 (CAS 406171-74-2) is a chemical compound with molecular formula C20H19ClN2O7 and molecular weight 434.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-chloro-3-nitrophenyl)-2-oxoethyl] 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)propanoate
Also Known As: AB01236142-03, 2-(4-chloro-3-nitrophenyl)-2-oxoethyl 3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)propanoate, 2-(4-chloro-3-nitrophenyl)-2-oxoethyl 3-(1,3-dioxohexahydro-1H-4,7-methanoisoindol-2(3H)-yl)propanoate, 2-(4-chloro-3-nitrophenyl)-2-oxoethyl 3-(3,5-dioxo-4-azatricyclo[5.2.1.0<2,6>] dec-4-yl)propanoate
| Molecular Formula | C20H19ClN2O7 |
|---|---|
| Molecular Weight | 434.09 g/mol |
| LogP | 2.3953 |
| Topological Polar Surface Area | 123.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 434.08807 |
| Heavy Atoms | 30 |
| Complexity | 934.4734 |
Chemical Identifiers
| CAS Number | 406171-74-2 |
|---|---|
| SMILES | C1CC2CC1C3C2C(=O)N(C3=O)CCC(=O)OCC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-] |
Product Overview
AB01236142-03 (CAS 406171-74-2), with molecular formula C20H19ClN2O7 and molecular weight 434.09 g/mol. IUPAC: [2-(4-chloro-3-nitrophenyl)-2-oxoethyl] 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)propanoate.
Chemical Property Profile of AB01236142-03
Property Insights of AB01236142-03
The XLogP value of 2.3953 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB01236142-03. The TPSA of 123.89 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01236142-03. Following Lipinski's Rule of Five, AB01236142-03 has 0 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 AB01236142-03?
The CAS number of AB01236142-03 is 406171-74-2.
What is the molecular formula of AB01236142-03?
The molecular formula of AB01236142-03 is C20H19ClN2O7.
What is the molecular weight of AB01236142-03?
The molecular weight of AB01236142-03 is 434.09 g/mol.
Where can I buy AB01236142-03?
You can request a quote for AB01236142-03 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01236142-03?
Yes, KEHONG BIO provides custom synthesis services for AB01236142-03 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.