AB00108061-01
TL;DR: AB00108061-01 (CAS 428461-75-0) is a chemical compound with molecular formula C18H21ClN2O4S2 and molecular weight 428.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(4-chlorophenyl)sulfanylethyl]-2-(3-methoxy-N-methylsulfonylanilino)acetamide
Also Known As: AB00108061-01, AN-989/42063761, N-{2-[(4-chlorophenyl)sulfanyl]ethyl}-2-[3-methoxy(methylsulfonyl)anilino]acetamide, N-[2-(4-chlorophenyl)sulfanylethyl]-2-(3-methoxy-N-methylsulfonylanilino)acetamide, N-{2-[(4-chlorophenyl)sulfanyl]ethyl}-N~2~-(3-methoxyphenyl)-N~2~-(methylsulfonyl)glycinamide
| Molecular Formula | C18H21ClN2O4S2 |
|---|---|
| Molecular Weight | 428.06 g/mol |
| LogP | 3.0231 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 428.06314 |
| Heavy Atoms | 27 |
| Complexity | 873.1853 |
Chemical Identifiers
| CAS Number | 428461-75-0 |
|---|---|
| SMILES | COC1=CC=CC(=C1)N(CC(=O)NCCSC2=CC=C(C=C2)Cl)S(=O)(=O)C |
Product Overview
AB00108061-01 (CAS 428461-75-0), with molecular formula C18H21ClN2O4S2 and molecular weight 428.06 g/mol. IUPAC: N-[2-(4-chlorophenyl)sulfanylethyl]-2-(3-methoxy-N-methylsulfonylanilino)acetamide.
Chemical Property Profile of AB00108061-01
Property Insights of AB00108061-01
The XLogP value of 3.0231 indicates that AB00108061-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00108061-01. Following Lipinski's Rule of Five, AB00108061-01 has 1 hydrogen bond donor(s) and 5 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 AB00108061-01?
The CAS number of AB00108061-01 is 428461-75-0.
What is the molecular formula of AB00108061-01?
The molecular formula of AB00108061-01 is C18H21ClN2O4S2.
What is the molecular weight of AB00108061-01?
The molecular weight of AB00108061-01 is 428.06 g/mol.
Where can I buy AB00108061-01?
You can request a quote for AB00108061-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00108061-01?
Yes, KEHONG BIO provides custom synthesis services for AB00108061-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.