4J-395S
TL;DR: 4J-395S (CAS 338423-64-6) is a chemical compound with molecular formula C16H17BrN2O3S2 and molecular weight 427.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[4-(4-bromophenyl)sulfanyl-5-methoxypyrimidin-2-yl]sulfanylpropanoate
Also Known As: 4J-395S, Ethyl 2-((4-((4-bromophenyl)sulfanyl)-5-methoxy-2-pyrimidinyl)sulfanyl)propanoate, ethyl 2-[4-(4-bromophenyl)sulfanyl-5-methoxypyrimidin-2-yl]sulfanylpropanoate, ethyl 2-({4-[(4-bromophenyl)sulfanyl]-5-methoxypyrimidin-2-yl}sulfanyl)propanoate, ethyl 2-({4-[(4-bromophenyl)sulfanyl]-5-methoxy-2-pyrimidinyl}sulfanyl)propanoate
| Molecular Formula | C16H17BrN2O3S2 |
|---|---|
| Molecular Weight | 427.99 g/mol |
| LogP | 4.4426 |
| Topological Polar Surface Area | 61.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 427.9864 |
| Heavy Atoms | 24 |
| Complexity | 698.2219 |
Chemical Identifiers
| CAS Number | 338423-64-6 |
|---|---|
| SMILES | CCOC(=O)C(C)SC1=NC=C(C(=N1)SC2=CC=C(C=C2)Br)OC |
Product Overview
4J-395S (CAS 338423-64-6), with molecular formula C16H17BrN2O3S2 and molecular weight 427.99 g/mol. IUPAC: ethyl 2-[4-(4-bromophenyl)sulfanyl-5-methoxypyrimidin-2-yl]sulfanylpropanoate.
Chemical Property Profile of 4J-395S
Property Insights of 4J-395S
The XLogP value of 4.4426 indicates that 4J-395S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 4J-395S. Following Lipinski's Rule of Five, 4J-395S has 0 hydrogen bond donor(s) and 7 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 4J-395S?
The CAS number of 4J-395S is 338423-64-6.
What is the molecular formula of 4J-395S?
The molecular formula of 4J-395S is C16H17BrN2O3S2.
What is the molecular weight of 4J-395S?
The molecular weight of 4J-395S is 427.99 g/mol.
Where can I buy 4J-395S?
You can request a quote for 4J-395S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4J-395S?
Yes, KEHONG BIO provides custom synthesis services for 4J-395S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.