ChemDiv1_020464
TL;DR: ChemDiv1_020464 (CAS 313398-09-3) 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-(2,3-dimethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
Also Known As: ChemDiv1_020464, BAS 00914532, AB00096190-01, N-(4-chlorophenyl)-4-(2,3-dimethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide, N-(4-chlorophenyl)-4-(2,3-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 | 313398-09-3 |
|---|---|
| SMILES | CC1=C(C(NC(=S)N1)C2=C(C(=CC=C2)OC)OC)C(=O)NC3=CC=C(C=C3)Cl |
Product Overview
ChemDiv1_020464 (CAS 313398-09-3), with molecular formula C20H20ClN3O3S and molecular weight 417.09 g/mol. IUPAC: N-(4-chlorophenyl)-4-(2,3-dimethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide.
Chemical Property Profile of ChemDiv1_020464
Property Insights of ChemDiv1_020464
The XLogP value of 3.7887 indicates that ChemDiv1_020464 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 ChemDiv1_020464. Following Lipinski's Rule of Five, ChemDiv1_020464 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 ChemDiv1_020464?
The CAS number of ChemDiv1_020464 is 313398-09-3.
What is the molecular formula of ChemDiv1_020464?
The molecular formula of ChemDiv1_020464 is C20H20ClN3O3S.
What is the molecular weight of ChemDiv1_020464?
The molecular weight of ChemDiv1_020464 is 417.09 g/mol.
Where can I buy ChemDiv1_020464?
You can request a quote for ChemDiv1_020464 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_020464?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_020464 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.