BAS 00689434
TL;DR: BAS 00689434 (CAS 328557-06-8) is a chemical compound with molecular formula C20H20ClN3O3S and molecular weight 417.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chlorophenyl)-4-(3,4-dimethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
Also Known As: BAS 00689434, BIM-0028092.P001, AB00093181-01, N-(4-chlorophenyl)-4-(3,4-dimethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide, N-(4-chlorophenyl)-4-(3,4-dimethoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxamide
| Molecular Formula | C20H20ClN3O3S |
|---|---|
| Molecular Weight | 417.09 g/mol |
| LogP | 3.7887 |
| Topological Polar Surface Area | 71.62 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 417.0914 |
| Heavy Atoms | 28 |
| Complexity | 944.21216 |
Chemical Identifiers
| CAS Number | 328557-06-8 |
|---|---|
| SMILES | CC1=C(C(NC(=S)N1)C2=CC(=C(C=C2)OC)OC)C(=O)NC3=CC=C(C=C3)Cl |
Product Overview
BAS 00689434 (CAS 328557-06-8), with molecular formula C20H20ClN3O3S and molecular weight 417.09 g/mol. IUPAC: N-(4-chlorophenyl)-4-(3,4-dimethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide.
Chemical Property Profile of BAS 00689434
Property Insights of BAS 00689434
The XLogP value of 3.7887 indicates that BAS 00689434 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 00689434. Following Lipinski's Rule of Five, BAS 00689434 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 00689434?
The CAS number of BAS 00689434 is 328557-06-8.
What is the molecular formula of BAS 00689434?
The molecular formula of BAS 00689434 is C20H20ClN3O3S.
What is the molecular weight of BAS 00689434?
The molecular weight of BAS 00689434 is 417.09 g/mol.
Where can I buy BAS 00689434?
You can request a quote for BAS 00689434 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00689434?
Yes, KEHONG BIO provides custom synthesis services for BAS 00689434 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.