BAS 00331755
TL;DR: BAS 00331755 (CAS 331004-64-9) is a chemical compound with molecular formula C21H16ClN5O4S3 and molecular weight 533.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-[[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide
Also Known As: BAS 00331755, 3-chloro-N-((4-(N-(6-methoxypyrimidin-4-yl)sulfamoyl)phenyl)carbamothioyl)benzo[b]thiophene-2-carboxamide, 3-chloro-N-({4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl}carbamothioyl)-1-benzothiophene-2-carboxamide, 3-chloro-N-[[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide, 4-[({[(3-chloro-1-benzothien-2-yl)carbonyl]amino}carbothioyl)amino]-N-(6-methoxy-4-pyrimidinyl)benzenesulfonamide
| Molecular Formula | C21H16ClN5O4S3 |
|---|---|
| Molecular Weight | 533.01 g/mol |
| LogP | 4.2809 |
| Topological Polar Surface Area | 122.31 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 533.0053 |
| Heavy Atoms | 34 |
| Complexity | 1490.0835 |
Chemical Identifiers
| CAS Number | 331004-64-9 |
|---|---|
| SMILES | COC1=NC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl |
Product Overview
BAS 00331755 (CAS 331004-64-9), with molecular formula C21H16ClN5O4S3 and molecular weight 533.01 g/mol. IUPAC: 3-chloro-N-[[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide.
Chemical Property Profile of BAS 00331755
Property Insights of BAS 00331755
The XLogP value of 4.2809 indicates that BAS 00331755 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.31 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00331755. Following Lipinski's Rule of Five, BAS 00331755 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 00331755?
The CAS number of BAS 00331755 is 331004-64-9.
What is the molecular formula of BAS 00331755?
The molecular formula of BAS 00331755 is C21H16ClN5O4S3.
What is the molecular weight of BAS 00331755?
The molecular weight of BAS 00331755 is 533.01 g/mol.
Where can I buy BAS 00331755?
You can request a quote for BAS 00331755 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00331755?
Yes, KEHONG BIO provides custom synthesis services for BAS 00331755 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.