BAS 00372790
TL;DR: BAS 00372790 (CAS 331272-95-8) is a chemical compound with molecular formula C18H17N5O5S3 and molecular weight 479.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]thiophene-2-carboxamide
Also Known As: BAS 00372790, N-(2,6-Dimethoxy-pyrimidin-4-yl)-4-[3-(thiophene-2-carbonyl)-thioureido]-benzenesulfonamide, N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]thiophene-2-carboxamide, N-({4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}carbamothioyl)thiophene-2-carboxamide, N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]thiocarbamoyl]thiophene-2-carboxamide
| Molecular Formula | C18H17N5O5S3 |
|---|---|
| Molecular Weight | 479.04 g/mol |
| LogP | 2.4829 |
| Topological Polar Surface Area | 131.54 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 479.03918 |
| Heavy Atoms | 31 |
| Complexity | 1159.5544 |
Chemical Identifiers
| CAS Number | 331272-95-8 |
|---|---|
| SMILES | COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CS3)OC |
Product Overview
BAS 00372790 (CAS 331272-95-8), with molecular formula C18H17N5O5S3 and molecular weight 479.04 g/mol. IUPAC: N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]thiophene-2-carboxamide.
Chemical Property Profile of BAS 00372790
Property Insights of BAS 00372790
The XLogP value of 2.4829 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00372790. The TPSA of 131.54 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00372790. Following Lipinski's Rule of Five, BAS 00372790 has 3 hydrogen bond donor(s) and 9 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 00372790?
The CAS number of BAS 00372790 is 331272-95-8.
What is the molecular formula of BAS 00372790?
The molecular formula of BAS 00372790 is C18H17N5O5S3.
What is the molecular weight of BAS 00372790?
The molecular weight of BAS 00372790 is 479.04 g/mol.
Where can I buy BAS 00372790?
You can request a quote for BAS 00372790 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00372790?
Yes, KEHONG BIO provides custom synthesis services for BAS 00372790 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.