J2.482.458F
TL;DR: J2.482.458F (CAS 123629-46-9) is a chemical compound with molecular formula C14H15BrN2O2S and molecular weight 354.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4-bromophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: J2.482.458F, AF-399/14201009, ethyl 4-(4-bromophenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, ethyl 4-(4-bromophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate, ethyl 4-(4-bromophenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
| Molecular Formula | C14H15BrN2O2S |
|---|---|
| Molecular Weight | 354.00 g/mol |
| LogP | 2.805 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 354.00375 |
| Heavy Atoms | 20 |
| Complexity | 569.04156 |
Chemical Identifiers
| CAS Number | 123629-46-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=S)NC1C2=CC=C(C=C2)Br)C |
Product Overview
J2.482.458F (CAS 123629-46-9), with molecular formula C14H15BrN2O2S and molecular weight 354.00 g/mol. IUPAC: ethyl 4-(4-bromophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of J2.482.458F
Property Insights of J2.482.458F
The XLogP value of 2.805 suggests moderate lipophilicity, balancing water solubility and membrane permeability for J2.482.458F. With a topological polar surface area (TPSA) of 50.36 Ų, J2.482.458F exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, J2.482.458F 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 J2.482.458F?
The CAS number of J2.482.458F is 123629-46-9.
What is the molecular formula of J2.482.458F?
The molecular formula of J2.482.458F is C14H15BrN2O2S.
What is the molecular weight of J2.482.458F?
The molecular weight of J2.482.458F is 354.00 g/mol.
Where can I buy J2.482.458F?
You can request a quote for J2.482.458F directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J2.482.458F?
Yes, KEHONG BIO provides custom synthesis services for J2.482.458F and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.