BAS 04856729
TL;DR: BAS 04856729 (CAS 446050-47-1) is a chemical compound with molecular formula C21H25N3O5S and molecular weight 431.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methoxy-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
Also Known As: BAS 04856729, 2-(2-methoxy-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide, 2-[Methanesulfonyl-(2-methoxy-phenyl)-amino]-N-[2-(pyrrolidine-1-carbonyl)-phenyl]-acetamide, N~2~-(2-methoxyphenyl)-N~2~-(methylsulfonyl)-N-[2-(pyrrolidin-1-ylcarbonyl)phenyl]glycinamide
| Molecular Formula | C21H25N3O5S |
|---|---|
| Molecular Weight | 431.15 g/mol |
| LogP | 2.3359 |
| Topological Polar Surface Area | 96.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 431.1515 |
| Heavy Atoms | 30 |
| Complexity | 1032.4423 |
Chemical Identifiers
| CAS Number | 446050-47-1 |
|---|---|
| SMILES | COC1=CC=CC=C1N(CC(=O)NC2=CC=CC=C2C(=O)N3CCCC3)S(=O)(=O)C |
Product Overview
BAS 04856729 (CAS 446050-47-1), with molecular formula C21H25N3O5S and molecular weight 431.15 g/mol. IUPAC: 2-(2-methoxy-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide.
Chemical Property Profile of BAS 04856729
Property Insights of BAS 04856729
The XLogP value of 2.3359 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 04856729. The TPSA of 96.02 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04856729. Following Lipinski's Rule of Five, BAS 04856729 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 BAS 04856729?
The CAS number of BAS 04856729 is 446050-47-1.
What is the molecular formula of BAS 04856729?
The molecular formula of BAS 04856729 is C21H25N3O5S.
What is the molecular weight of BAS 04856729?
The molecular weight of BAS 04856729 is 431.15 g/mol.
Where can I buy BAS 04856729?
You can request a quote for BAS 04856729 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04856729?
Yes, KEHONG BIO provides custom synthesis services for BAS 04856729 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.