ChemDiv1_021654
TL;DR: ChemDiv1_021654 (CAS 312621-08-2) is a chemical compound with molecular formula C20H21N3O2S and molecular weight 367.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-methoxyphenyl)-6-methyl-N-(2-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
Also Known As: ChemDiv1_021654, AB00122374-01, AN-023/13711113, 4-(2-methoxyphenyl)-6-methyl-N-(2-methylphenyl)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxamide, 4-(2-METHOXYPHENYL)-6-METHYL-N-(2-METHYLPHENYL)-2-SULFANYLIDENE-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXAMIDE
| Molecular Formula | C20H21N3O2S |
|---|---|
| Molecular Weight | 367.14 g/mol |
| LogP | 3.43512 |
| Topological Polar Surface Area | 62.39 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 367.13544 |
| Heavy Atoms | 26 |
| Complexity | 892.12994 |
Chemical Identifiers
| CAS Number | 312621-08-2 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)C2=C(NC(=S)NC2C3=CC=CC=C3OC)C |
Product Overview
ChemDiv1_021654 (CAS 312621-08-2), with molecular formula C20H21N3O2S and molecular weight 367.14 g/mol. IUPAC: 4-(2-methoxyphenyl)-6-methyl-N-(2-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide.
Chemical Property Profile of ChemDiv1_021654
Property Insights of ChemDiv1_021654
The XLogP value of 3.43512 indicates that ChemDiv1_021654 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.39 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_021654. Following Lipinski's Rule of Five, ChemDiv1_021654 has 3 hydrogen bond donor(s) and 3 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_021654?
The CAS number of ChemDiv1_021654 is 312621-08-2.
What is the molecular formula of ChemDiv1_021654?
The molecular formula of ChemDiv1_021654 is C20H21N3O2S.
What is the molecular weight of ChemDiv1_021654?
The molecular weight of ChemDiv1_021654 is 367.14 g/mol.
Where can I buy ChemDiv1_021654?
You can request a quote for ChemDiv1_021654 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_021654?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_021654 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.