BAS 00371982
TL;DR: BAS 00371982 (CAS 331272-49-2) is a chemical compound with molecular formula C20H20BrN3O3S and molecular weight 461.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromophenyl)-4-(2,5-dimethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
Also Known As: BAS 00371982, F1011-1567, N-(4-bromophenyl)-4-(2,5-dimethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide, N-(4-Bromophenyl)-4-(2,5-dimethoxyphenyl)-1,2,3,4-tetrahydro-6-methyl-2-thioxo-5-pyrimidinecarboxamide, N-(4-bromophenyl)-4-(2,5-dimethoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide
| Molecular Formula | C20H20BrN3O3S |
|---|---|
| Molecular Weight | 461.04 g/mol |
| LogP | 3.8978 |
| Topological Polar Surface Area | 71.62 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 461.0409 |
| Heavy Atoms | 28 |
| Complexity | 944.21216 |
Chemical Identifiers
| CAS Number | 331272-49-2 |
|---|---|
| SMILES | CC1=C(C(NC(=S)N1)C2=C(C=CC(=C2)OC)OC)C(=O)NC3=CC=C(C=C3)Br |
Product Overview
BAS 00371982 (CAS 331272-49-2), with molecular formula C20H20BrN3O3S and molecular weight 461.04 g/mol. IUPAC: N-(4-bromophenyl)-4-(2,5-dimethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide.
Chemical Property Profile of BAS 00371982
Property Insights of BAS 00371982
The XLogP value of 3.8978 indicates that BAS 00371982 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.62 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00371982. Following Lipinski's Rule of Five, BAS 00371982 has 3 hydrogen bond donor(s) and 4 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 00371982?
The CAS number of BAS 00371982 is 331272-49-2.
What is the molecular formula of BAS 00371982?
The molecular formula of BAS 00371982 is C20H20BrN3O3S.
What is the molecular weight of BAS 00371982?
The molecular weight of BAS 00371982 is 461.04 g/mol.
Where can I buy BAS 00371982?
You can request a quote for BAS 00371982 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00371982?
Yes, KEHONG BIO provides custom synthesis services for BAS 00371982 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.