J1.752.499B
TL;DR: J1.752.499B (CAS 406918-96-5) is a chemical compound with molecular formula C19H15BrN4O2S2 and molecular weight 473.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]-cyanomethyl]-2-methylsulfanylpyrimidine-5-carboxylate
Also Known As: J1.752.499B, ethyl 4-{[4-(4-bromophenyl)-1,3-thiazol-2-yl](cyano)methyl}-2-(methylsulfanyl)pyrimidine-5-carboxylate, 2-(Methylthio)-4-[[4-(4-bromophenyl)-2-thiazolyl]cyanomethyl]pyrimidine-5-carboxylic acid ethyl ester, ethyl 4-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]-cyanomethyl]-2-methylsulfanylpyrimidine-5-carboxylate
| Molecular Formula | C19H15BrN4O2S2 |
|---|---|
| Molecular Weight | 473.98 g/mol |
| LogP | 4.91668 |
| Topological Polar Surface Area | 88.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 473.982 |
| Heavy Atoms | 28 |
| Complexity | 1031.1581 |
Chemical Identifiers
| CAS Number | 406918-96-5 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C(N=C1C(C#N)C2=NC(=CS2)C3=CC=C(C=C3)Br)SC |
Product Overview
J1.752.499B (CAS 406918-96-5), with molecular formula C19H15BrN4O2S2 and molecular weight 473.98 g/mol. IUPAC: ethyl 4-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]-cyanomethyl]-2-methylsulfanylpyrimidine-5-carboxylate.
Chemical Property Profile of J1.752.499B
Property Insights of J1.752.499B
The XLogP value of 4.91668 indicates that J1.752.499B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.76 Ų falls within the moderate polarity range, balancing permeability and solubility for J1.752.499B. Following Lipinski's Rule of Five, J1.752.499B has 0 hydrogen bond donor(s) and 8 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 J1.752.499B?
The CAS number of J1.752.499B is 406918-96-5.
What is the molecular formula of J1.752.499B?
The molecular formula of J1.752.499B is C19H15BrN4O2S2.
What is the molecular weight of J1.752.499B?
The molecular weight of J1.752.499B is 473.98 g/mol.
Where can I buy J1.752.499B?
You can request a quote for J1.752.499B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J1.752.499B?
Yes, KEHONG BIO provides custom synthesis services for J1.752.499B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.