AB00107187-01
TL;DR: AB00107187-01 (CAS 425666-42-8) is a chemical compound with molecular formula C18H19ClN2O3S and molecular weight 378.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chlorophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]methanesulfonamide
Also Known As: AB00107187-01, AO-081/15245056, N-(4-chlorophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]methanesulfonamide, N-(4-chlorophenyl)-N-[2-(3,4-dihydro-2(1H)-isoquinolinyl)-2-oxoethyl]methanesulfonamide
| Molecular Formula | C18H19ClN2O3S |
|---|---|
| Molecular Weight | 378.08 g/mol |
| LogP | 2.6909 |
| Topological Polar Surface Area | 57.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 378.0805 |
| Heavy Atoms | 25 |
| Complexity | 881.4491 |
Chemical Identifiers
| CAS Number | 425666-42-8 |
|---|---|
| SMILES | CS(=O)(=O)N(CC(=O)N1CCC2=CC=CC=C2C1)C3=CC=C(C=C3)Cl |
Product Overview
AB00107187-01 (CAS 425666-42-8), with molecular formula C18H19ClN2O3S and molecular weight 378.08 g/mol. IUPAC: N-(4-chlorophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]methanesulfonamide.
Chemical Property Profile of AB00107187-01
Property Insights of AB00107187-01
The XLogP value of 2.6909 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00107187-01. With a topological polar surface area (TPSA) of 57.69 Ų, AB00107187-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00107187-01 has 0 hydrogen bond donor(s) and 3 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 AB00107187-01?
The CAS number of AB00107187-01 is 425666-42-8.
What is the molecular formula of AB00107187-01?
The molecular formula of AB00107187-01 is C18H19ClN2O3S.
What is the molecular weight of AB00107187-01?
The molecular weight of AB00107187-01 is 378.08 g/mol.
Where can I buy AB00107187-01?
You can request a quote for AB00107187-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00107187-01?
Yes, KEHONG BIO provides custom synthesis services for AB00107187-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.