BAS 00944002
TL;DR: BAS 00944002 (CAS 333768-14-2) is a chemical compound with molecular formula C19H18FN3OS and molecular weight 355.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-fluorophenyl)-6-methyl-N-(2-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
Also Known As: BAS 00944002, BIM-0032964.P001, AB00096166-01, AE-848/12918247, F0379-0037
| Molecular Formula | C19H18FN3OS |
|---|---|
| Molecular Weight | 355.12 g/mol |
| LogP | 3.56562 |
| Topological Polar Surface Area | 53.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 355.11545 |
| Heavy Atoms | 25 |
| Complexity | 861.22784 |
Chemical Identifiers
| CAS Number | 333768-14-2 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)C2=C(NC(=S)NC2C3=CC=C(C=C3)F)C |
Product Overview
BAS 00944002 (CAS 333768-14-2), with molecular formula C19H18FN3OS and molecular weight 355.12 g/mol. IUPAC: 4-(4-fluorophenyl)-6-methyl-N-(2-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide.
Chemical Property Profile of BAS 00944002
Property Insights of BAS 00944002
The XLogP value of 3.56562 indicates that BAS 00944002 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 00944002 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00944002 has 3 hydrogen bond donor(s) and 2 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 00944002?
The CAS number of BAS 00944002 is 333768-14-2.
What is the molecular formula of BAS 00944002?
The molecular formula of BAS 00944002 is C19H18FN3OS.
What is the molecular weight of BAS 00944002?
The molecular weight of BAS 00944002 is 355.12 g/mol.
Where can I buy BAS 00944002?
You can request a quote for BAS 00944002 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00944002?
Yes, KEHONG BIO provides custom synthesis services for BAS 00944002 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.