BAS 00486131
TL;DR: BAS 00486131 (CAS 134141-12-1) is a chemical compound with molecular formula C13H13BrN2O2S and molecular weight 339.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(4-bromophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: BAS 00486131, methyl 4-(4-bromophenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, F0126-0210, methyl 4-(4-bromophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate, methyl 4-(4-bromophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
| Molecular Formula | C13H13BrN2O2S |
|---|---|
| Molecular Weight | 339.99 g/mol |
| LogP | 2.4149 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 339.9881 |
| Heavy Atoms | 19 |
| Complexity | 554.2666 |
Chemical Identifiers
| CAS Number | 134141-12-1 |
|---|---|
| SMILES | CC1=C(C(NC(=S)N1)C2=CC=C(C=C2)Br)C(=O)OC |
Product Overview
BAS 00486131 (CAS 134141-12-1), with molecular formula C13H13BrN2O2S and molecular weight 339.99 g/mol. IUPAC: methyl 4-(4-bromophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of BAS 00486131
Property Insights of BAS 00486131
The XLogP value of 2.4149 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00486131. With a topological polar surface area (TPSA) of 50.36 Ų, BAS 00486131 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00486131 has 2 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 00486131?
The CAS number of BAS 00486131 is 134141-12-1.
What is the molecular formula of BAS 00486131?
The molecular formula of BAS 00486131 is C13H13BrN2O2S.
What is the molecular weight of BAS 00486131?
The molecular weight of BAS 00486131 is 339.99 g/mol.
Where can I buy BAS 00486131?
You can request a quote for BAS 00486131 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00486131?
Yes, KEHONG BIO provides custom synthesis services for BAS 00486131 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.