5K-672S
TL;DR: 5K-672S (CAS 338959-64-1) is a chemical compound with molecular formula C19H15ClN2O3S2 and molecular weight 418.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylbenzoate
Also Known As: 5K-672S, methyl 2-[(2-{[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino}-2-oxoethyl)sulfanyl]benzenecarboxylate, methyl 2-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylbenzoate, methyl 2-[({[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl}methyl)sulfanyl]benzoate, Methyl 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamoylmethylsulfanyl]benzoate
| Molecular Formula | C19H15ClN2O3S2 |
|---|---|
| Molecular Weight | 418.02 g/mol |
| LogP | 4.9809 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 418.02127 |
| Heavy Atoms | 27 |
| Complexity | 957.59845 |
Chemical Identifiers
| CAS Number | 338959-64-1 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1SCC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)Cl |
Product Overview
5K-672S (CAS 338959-64-1), with molecular formula C19H15ClN2O3S2 and molecular weight 418.02 g/mol. IUPAC: methyl 2-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylbenzoate.
Chemical Property Profile of 5K-672S
Property Insights of 5K-672S
The XLogP value of 4.9809 indicates that 5K-672S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 5K-672S. Following Lipinski's Rule of Five, 5K-672S has 1 hydrogen bond donor(s) and 6 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 5K-672S?
The CAS number of 5K-672S is 338959-64-1.
What is the molecular formula of 5K-672S?
The molecular formula of 5K-672S is C19H15ClN2O3S2.
What is the molecular weight of 5K-672S?
The molecular weight of 5K-672S is 418.02 g/mol.
Where can I buy 5K-672S?
You can request a quote for 5K-672S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5K-672S?
Yes, KEHONG BIO provides custom synthesis services for 5K-672S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.