BAS 00371997
TL;DR: BAS 00371997 (CAS 331272-57-2) is a chemical compound with molecular formula C16H14BrN3OS2 and molecular weight 406.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromophenyl)-6-methyl-2-sulfanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
Also Known As: BAS 00371997, BIM-0020780.P001, N-(4-bromophenyl)-6-methyl-2-sulfanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide, N-(4-bromophenyl)-6-methyl-4-(2-thienyl)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxamide
| Molecular Formula | C16H14BrN3OS2 |
|---|---|
| Molecular Weight | 406.98 g/mol |
| LogP | 3.9421 |
| Topological Polar Surface Area | 53.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 406.97617 |
| Heavy Atoms | 23 |
| Complexity | 769.1329 |
Chemical Identifiers
| CAS Number | 331272-57-2 |
|---|---|
| SMILES | CC1=C(C(NC(=S)N1)C2=CC=CS2)C(=O)NC3=CC=C(C=C3)Br |
Product Overview
BAS 00371997 (CAS 331272-57-2), with molecular formula C16H14BrN3OS2 and molecular weight 406.98 g/mol. IUPAC: N-(4-bromophenyl)-6-methyl-2-sulfanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide.
Chemical Property Profile of BAS 00371997
Property Insights of BAS 00371997
The XLogP value of 3.9421 indicates that BAS 00371997 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.16 Ų, BAS 00371997 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00371997 has 3 hydrogen bond donor(s) and 3 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 00371997?
The CAS number of BAS 00371997 is 331272-57-2.
What is the molecular formula of BAS 00371997?
The molecular formula of BAS 00371997 is C16H14BrN3OS2.
What is the molecular weight of BAS 00371997?
The molecular weight of BAS 00371997 is 406.98 g/mol.
Where can I buy BAS 00371997?
You can request a quote for BAS 00371997 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00371997?
Yes, KEHONG BIO provides custom synthesis services for BAS 00371997 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.