BAS 01508631
TL;DR: BAS 01508631 (CAS 5110-95-2) 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-(4-methylphenyl)-2-sulfanylidene-4-(2,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide
Also Known As: BAS 01508631, 6-methyl-N-(4-methylphenyl)-2-sulfanylidene-4-(2,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide, 6-Methyl-N-(4-methylphenyl)-2-sulfanylidene-4-(2,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxamide
| 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 | 1002.1874 |
Chemical Identifiers
| CAS Number | 5110-95-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)C2=C(NC(=S)NC2C3=CC(=C(C=C3OC)OC)OC)C |
Product Overview
BAS 01508631 (CAS 5110-95-2), with molecular formula C22H25N3O4S and molecular weight 427.16 g/mol. IUPAC: 6-methyl-N-(4-methylphenyl)-2-sulfanylidene-4-(2,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide.
Chemical Property Profile of BAS 01508631
Property Insights of BAS 01508631
The XLogP value of 3.45232 indicates that BAS 01508631 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 01508631. Following Lipinski's Rule of Five, BAS 01508631 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 01508631?
The CAS number of BAS 01508631 is 5110-95-2.
What is the molecular formula of BAS 01508631?
The molecular formula of BAS 01508631 is C22H25N3O4S.
What is the molecular weight of BAS 01508631?
The molecular weight of BAS 01508631 is 427.16 g/mol.
Where can I buy BAS 01508631?
You can request a quote for BAS 01508631 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01508631?
Yes, KEHONG BIO provides custom synthesis services for BAS 01508631 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.