BAS 00689481
TL;DR: BAS 00689481 (CAS 330453-82-2) is a chemical compound with molecular formula C23H21N3OS and molecular weight 387.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-N-(4-methylphenyl)-4-naphthalen-1-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
Also Known As: BAS 00689481, BIM-0027955.P001, 6-methyl-N-(4-methylphenyl)-4-naphthalen-1-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide, 6-methyl-N-(4-methylphenyl)-4-(1-naphthyl)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxamide, (4-methyl-6-naphthyl-2-thioxo(1,3,6-trihydropyrimidin-5-yl))-N-(4-methylphenyl )carboxamide
| Molecular Formula | C23H21N3OS |
|---|---|
| Molecular Weight | 387.14 g/mol |
| LogP | 4.57972 |
| Topological Polar Surface Area | 53.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 387.14053 |
| Heavy Atoms | 28 |
| Complexity | 1097.0404 |
Chemical Identifiers
| CAS Number | 330453-82-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)C2=C(NC(=S)NC2C3=CC=CC4=CC=CC=C43)C |
Product Overview
BAS 00689481 (CAS 330453-82-2), with molecular formula C23H21N3OS and molecular weight 387.14 g/mol. IUPAC: 6-methyl-N-(4-methylphenyl)-4-naphthalen-1-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide.
Chemical Property Profile of BAS 00689481
Property Insights of BAS 00689481
The XLogP value of 4.57972 indicates that BAS 00689481 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 00689481 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00689481 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 00689481?
The CAS number of BAS 00689481 is 330453-82-2.
What is the molecular formula of BAS 00689481?
The molecular formula of BAS 00689481 is C23H21N3OS.
What is the molecular weight of BAS 00689481?
The molecular weight of BAS 00689481 is 387.14 g/mol.
Where can I buy BAS 00689481?
You can request a quote for BAS 00689481 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00689481?
Yes, KEHONG BIO provides custom synthesis services for BAS 00689481 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.