AB00730952-01
TL;DR: AB00730952-01 (CAS 851623-45-5) is a chemical compound with molecular formula C18H17ClN2O5S and molecular weight 408.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 3-chloro-4-hydroxybenzoate
Also Known As: AB00730952-01, [2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 3-chloro-4-hydroxybenzoate, 2-[(3-Carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl 3-chloro-4-hydroxybenzoate
| Molecular Formula | C18H17ClN2O5S |
|---|---|
| Molecular Weight | 408.05 g/mol |
| LogP | 2.8803 |
| Topological Polar Surface Area | 118.72 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 408.05466 |
| Heavy Atoms | 27 |
| Complexity | 924.71606 |
Chemical Identifiers
| CAS Number | 851623-45-5 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)COC(=O)C3=CC(=C(C=C3)O)Cl)C(=O)N |
Product Overview
AB00730952-01 (CAS 851623-45-5), with molecular formula C18H17ClN2O5S and molecular weight 408.05 g/mol. IUPAC: [2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 3-chloro-4-hydroxybenzoate.
Chemical Property Profile of AB00730952-01
Property Insights of AB00730952-01
The XLogP value of 2.8803 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00730952-01. The TPSA of 118.72 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00730952-01. Following Lipinski's Rule of Five, AB00730952-01 has 3 hydrogen bond donor(s) and 6 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 AB00730952-01?
The CAS number of AB00730952-01 is 851623-45-5.
What is the molecular formula of AB00730952-01?
The molecular formula of AB00730952-01 is C18H17ClN2O5S.
What is the molecular weight of AB00730952-01?
The molecular weight of AB00730952-01 is 408.05 g/mol.
Where can I buy AB00730952-01?
You can request a quote for AB00730952-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00730952-01?
Yes, KEHONG BIO provides custom synthesis services for AB00730952-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.