BAS 00458527
TL;DR: BAS 00458527 (CAS 312735-07-2) is a chemical compound with molecular formula C17H17N3OS2 and molecular weight 343.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-N-(2-methylphenyl)-2-sulfanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
Also Known As: BAS 00458527, 6-methyl-N-(2-methylphenyl)-2-sulfanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide, 6-methyl-N-(2-methylphenyl)-4-(2-thienyl)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxamide, 6-Methyl-4-thiophen-2-yl-2-thioxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid o-tolylamide, 6-METHYL-N~5~-(2-METHYLPHENYL)-4-(2-THIENYL)-2-THIOXO-1,2,3,4-TETRAHYDRO-5-PYRIMIDINECARBOXAMIDE
| Molecular Formula | C17H17N3OS2 |
|---|---|
| Molecular Weight | 343.08 g/mol |
| LogP | 3.48802 |
| Topological Polar Surface Area | 53.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 343.0813 |
| Heavy Atoms | 23 |
| Complexity | 780.896 |
Chemical Identifiers
| CAS Number | 312735-07-2 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)C2=C(NC(=S)NC2C3=CC=CS3)C |
Product Overview
BAS 00458527 (CAS 312735-07-2), with molecular formula C17H17N3OS2 and molecular weight 343.08 g/mol. IUPAC: 6-methyl-N-(2-methylphenyl)-2-sulfanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide.
Chemical Property Profile of BAS 00458527
Property Insights of BAS 00458527
The XLogP value of 3.48802 indicates that BAS 00458527 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.16 Ų, BAS 00458527 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00458527 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 BAS 00458527?
The CAS number of BAS 00458527 is 312735-07-2.
What is the molecular formula of BAS 00458527?
The molecular formula of BAS 00458527 is C17H17N3OS2.
What is the molecular weight of BAS 00458527?
The molecular weight of BAS 00458527 is 343.08 g/mol.
Where can I buy BAS 00458527?
You can request a quote for BAS 00458527 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00458527?
Yes, KEHONG BIO provides custom synthesis services for BAS 00458527 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.