BAS 00458665
TL;DR: BAS 00458665 (CAS 331676-29-0) is a chemical compound with molecular formula C22H25N3O4S and molecular weight 427.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-N-(3-methylphenyl)-2-sulfanylidene-4-(2,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide
Also Known As: BAS 00458665, AB00087991-01, 6-methyl-N-(3-methylphenyl)-2-sulfanylidene-4-(2,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide, 6-methyl-N-(3-methylphenyl)-2-thioxo-4-(2,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydro-5-pyrimidinecarboxamide
| Molecular Formula | C22H25N3O4S |
|---|---|
| Molecular Weight | 427.16 g/mol |
| LogP | 3.45232 |
| Topological Polar Surface Area | 80.85 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 427.1566 |
| Heavy Atoms | 30 |
| Complexity | 1019.4374 |
Chemical Identifiers
| CAS Number | 331676-29-0 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=O)C2=C(NC(=S)NC2C3=CC(=C(C=C3OC)OC)OC)C |
Product Overview
BAS 00458665 (CAS 331676-29-0), with molecular formula C22H25N3O4S and molecular weight 427.16 g/mol. IUPAC: 6-methyl-N-(3-methylphenyl)-2-sulfanylidene-4-(2,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide.
Chemical Property Profile of BAS 00458665
Property Insights of BAS 00458665
The XLogP value of 3.45232 indicates that BAS 00458665 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 00458665. Following Lipinski's Rule of Five, BAS 00458665 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 00458665?
The CAS number of BAS 00458665 is 331676-29-0.
What is the molecular formula of BAS 00458665?
The molecular formula of BAS 00458665 is C22H25N3O4S.
What is the molecular weight of BAS 00458665?
The molecular weight of BAS 00458665 is 427.16 g/mol.
Where can I buy BAS 00458665?
You can request a quote for BAS 00458665 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00458665?
Yes, KEHONG BIO provides custom synthesis services for BAS 00458665 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.