BAS 00689443
TL;DR: BAS 00689443 (CAS 330453-66-2) is a chemical compound with molecular formula C21H22ClN3O4S and molecular weight 447.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chlorophenyl)-6-methyl-2-sulfanylidene-4-(2,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide
Also Known As: BAS 00689443, BIM-0006363.P001, AB00093298-01, N-(4-chlorophenyl)-6-methyl-2-sulfanylidene-4-(2,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide, N-(4-chlorophenyl)-6-methyl-2-thioxo-4-(2,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydro-5-pyrimidinecarboxamide
| Molecular Formula | C21H22ClN3O4S |
|---|---|
| Molecular Weight | 447.10 g/mol |
| LogP | 3.7973 |
| Topological Polar Surface Area | 80.85 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 447.10196 |
| Heavy Atoms | 30 |
| Complexity | 1008.0562 |
Chemical Identifiers
| CAS Number | 330453-66-2 |
|---|---|
| SMILES | CC1=C(C(NC(=S)N1)C2=CC(=C(C=C2OC)OC)OC)C(=O)NC3=CC=C(C=C3)Cl |
Product Overview
BAS 00689443 (CAS 330453-66-2), with molecular formula C21H22ClN3O4S and molecular weight 447.10 g/mol. IUPAC: N-(4-chlorophenyl)-6-methyl-2-sulfanylidene-4-(2,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide.
Chemical Property Profile of BAS 00689443
Property Insights of BAS 00689443
The XLogP value of 3.7973 indicates that BAS 00689443 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.85 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00689443. Following Lipinski's Rule of Five, BAS 00689443 has 3 hydrogen bond donor(s) and 5 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 00689443?
The CAS number of BAS 00689443 is 330453-66-2.
What is the molecular formula of BAS 00689443?
The molecular formula of BAS 00689443 is C21H22ClN3O4S.
What is the molecular weight of BAS 00689443?
The molecular weight of BAS 00689443 is 447.10 g/mol.
Where can I buy BAS 00689443?
You can request a quote for BAS 00689443 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00689443?
Yes, KEHONG BIO provides custom synthesis services for BAS 00689443 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.