ChemDiv1_021406
TL;DR: ChemDiv1_021406 (CAS 313702-08-8) is a chemical compound with molecular formula C21H23N3O4S and molecular weight 413.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,3-dimethoxyphenyl)-N-(2-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
Also Known As: ChemDiv1_021406, BAS 01434346, BIM-0039539.P001, 4-(2,3-dimethoxyphenyl)-N-(2-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide, 4-(2,3-dimethoxyphenyl)-N-(2-methoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxamide
| Molecular Formula | C21H23N3O4S |
|---|---|
| Molecular Weight | 413.14 g/mol |
| LogP | 3.1439 |
| Topological Polar Surface Area | 80.85 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 413.14093 |
| Heavy Atoms | 29 |
| Complexity | 974.1486 |
Chemical Identifiers
| CAS Number | 313702-08-8 |
|---|---|
| SMILES | CC1=C(C(NC(=S)N1)C2=C(C(=CC=C2)OC)OC)C(=O)NC3=CC=CC=C3OC |
Product Overview
ChemDiv1_021406 (CAS 313702-08-8), with molecular formula C21H23N3O4S and molecular weight 413.14 g/mol. IUPAC: 4-(2,3-dimethoxyphenyl)-N-(2-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide.
Chemical Property Profile of ChemDiv1_021406
Property Insights of ChemDiv1_021406
The XLogP value of 3.1439 indicates that ChemDiv1_021406 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 ChemDiv1_021406. Following Lipinski's Rule of Five, ChemDiv1_021406 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 ChemDiv1_021406?
The CAS number of ChemDiv1_021406 is 313702-08-8.
What is the molecular formula of ChemDiv1_021406?
The molecular formula of ChemDiv1_021406 is C21H23N3O4S.
What is the molecular weight of ChemDiv1_021406?
The molecular weight of ChemDiv1_021406 is 413.14 g/mol.
Where can I buy ChemDiv1_021406?
You can request a quote for ChemDiv1_021406 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_021406?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_021406 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.