BAS 00331774
TL;DR: BAS 00331774 (CAS 331004-70-7) is a chemical compound with molecular formula C23H23N5O5S2 and molecular weight 513.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-3-(4-methylphenyl)prop-2-enamide
Also Known As: BAS 00331774, (2E)-N-({4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}carbamothioyl)-3-(4-methylphenyl)prop-2-enamide, (E)-N-((4-(N-(2,6-dimethoxypyrimidin-4-yl)sulfamoyl)phenyl)carbamothioyl)-3-(p-tolyl)acrylamide, (E)-N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-3-(4-methylphenyl)prop-2-enamide, N~1~-(2,6-DIMETHOXY-4-PYRIMIDINYL)-4-[({[3-(4-METHYLPHENYL)ACRYLOYL]AMINO}CARBOTHIOYL)AMINO]-1-BENZENESULFONAMIDE
| Molecular Formula | C23H23N5O5S2 |
|---|---|
| Molecular Weight | 513.11 g/mol |
| LogP | 3.12942 |
| Topological Polar Surface Area | 131.54 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 513.1141 |
| Heavy Atoms | 35 |
| Complexity | 1319.47 |
Chemical Identifiers
| CAS Number | 331004-70-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC(=NC(=N3)OC)OC |
Product Overview
BAS 00331774 (CAS 331004-70-7), with molecular formula C23H23N5O5S2 and molecular weight 513.11 g/mol. IUPAC: (E)-N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-3-(4-methylphenyl)prop-2-enamide.
Chemical Property Profile of BAS 00331774
Property Insights of BAS 00331774
The XLogP value of 3.12942 indicates that BAS 00331774 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.54 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00331774. Following Lipinski's Rule of Five, BAS 00331774 has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00331774?
The CAS number of BAS 00331774 is 331004-70-7.
What is the molecular formula of BAS 00331774?
The molecular formula of BAS 00331774 is C23H23N5O5S2.
What is the molecular weight of BAS 00331774?
The molecular weight of BAS 00331774 is 513.11 g/mol.
Where can I buy BAS 00331774?
You can request a quote for BAS 00331774 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00331774?
Yes, KEHONG BIO provides custom synthesis services for BAS 00331774 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.