BAS 00754353
TL;DR: BAS 00754353 (CAS 331638-33-6) is a chemical compound with molecular formula C27H28N4O6S and molecular weight 536.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
Also Known As: BAS 00754353, BIM-0012221.P001, 2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide, 2-[2,4-dimethoxy(phenylsulfonyl)anilino]-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamide, N~2~-(2,4-dimethoxyphenyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-N~2~-(phenylsulfonyl)glycinamide
| Molecular Formula | C27H28N4O6S |
|---|---|
| Molecular Weight | 536.17 g/mol |
| LogP | 3.33562 |
| Topological Polar Surface Area | 111.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 536.173 |
| Heavy Atoms | 38 |
| Complexity | 1612.7684 |
Chemical Identifiers
| CAS Number | 331638-33-6 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CN(C3=C(C=C(C=C3)OC)OC)S(=O)(=O)C4=CC=CC=C4 |
Product Overview
BAS 00754353 (CAS 331638-33-6), with molecular formula C27H28N4O6S and molecular weight 536.17 g/mol. IUPAC: 2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide.
Chemical Property Profile of BAS 00754353
Property Insights of BAS 00754353
The XLogP value of 3.33562 indicates that BAS 00754353 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.87 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00754353. Following Lipinski's Rule of Five, BAS 00754353 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00754353?
The CAS number of BAS 00754353 is 331638-33-6.
What is the molecular formula of BAS 00754353?
The molecular formula of BAS 00754353 is C27H28N4O6S.
What is the molecular weight of BAS 00754353?
The molecular weight of BAS 00754353 is 536.17 g/mol.
Where can I buy BAS 00754353?
You can request a quote for BAS 00754353 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00754353?
Yes, KEHONG BIO provides custom synthesis services for BAS 00754353 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.