AB00717012-01
TL;DR: AB00717012-01 (CAS 728901-17-5) is a chemical compound with molecular formula C22H25ClN2O7S and molecular weight 496.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
Also Known As: AB00717012-01, [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate, (3-chloro-4-methoxy-phenyl)carbamoylmethyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate, 2-(3-Chloro-4-methoxyanilino)-2-oxoethyl 3-[4-(morpholine-4-sulfonyl)phenyl]propanoate
| Molecular Formula | C22H25ClN2O7S |
|---|---|
| Molecular Weight | 496.11 g/mol |
| LogP | 2.484 |
| Topological Polar Surface Area | 111.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 496.1071 |
| Heavy Atoms | 33 |
| Complexity | 1084.4232 |
Chemical Identifiers
| CAS Number | 728901-17-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)NC(=O)COC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)Cl |
Product Overview
AB00717012-01 (CAS 728901-17-5), with molecular formula C22H25ClN2O7S and molecular weight 496.11 g/mol. IUPAC: [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate.
Chemical Property Profile of AB00717012-01
Property Insights of AB00717012-01
The XLogP value of 2.484 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00717012-01. The TPSA of 111.24 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00717012-01. Following Lipinski's Rule of Five, AB00717012-01 has 1 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 AB00717012-01?
The CAS number of AB00717012-01 is 728901-17-5.
What is the molecular formula of AB00717012-01?
The molecular formula of AB00717012-01 is C22H25ClN2O7S.
What is the molecular weight of AB00717012-01?
The molecular weight of AB00717012-01 is 496.11 g/mol.
Where can I buy AB00717012-01?
You can request a quote for AB00717012-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00717012-01?
Yes, KEHONG BIO provides custom synthesis services for AB00717012-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.