![Dimethyl 5-{[(4,5-dihydro-1,3-thiazol-2-ylthio)acetyl]amino}isophthalate structure](/static/products/825/825655-79-6.png)
Dimethyl 5-{[(4,5-dihydro-1,3-thiazol-2-ylthio)acetyl]amino}isophthalate
TL;DR: Dimethyl 5-{[(4,5-dihydro-1,3-thiazol-2-ylthio)acetyl]amino}isophthalate (CAS 825655-79-6) is a chemical compound with molecular formula C15H16N2O5S2 and molecular weight 368.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]amino]benzene-1,3-dicarboxylate
Also Known As: CBKinase1_010446, CBKinase1_022846, BRD-K54653121-001-01-8, dimethyl 5-(2-((4,5-dihydrothiazol-2-yl)thio)acetamido)isophthalate, dimethyl 5-{[(4,5-dihydro-1,3-thiazol-2-ylthio)acetyl]amino}isophthalate
| Molecular Formula | C15H16N2O5S2 |
|---|---|
| Molecular Weight | 368.05 g/mol |
| LogP | 2.0343 |
| Topological Polar Surface Area | 94.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 368.05005 |
| Heavy Atoms | 24 |
| Complexity | 656.192 |
Chemical Identifiers
| CAS Number | 825655-79-6 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)NC(=O)CSC2=NCCS2)C(=O)OC |
Product Overview
Dimethyl 5-{[(4,5-dihydro-1,3-thiazol-2-ylthio)acetyl]amino}isophthalate (CAS 825655-79-6), with molecular formula C15H16N2O5S2 and molecular weight 368.05 g/mol. IUPAC: dimethyl 5-[[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]amino]benzene-1,3-dicarboxylate.
Chemical Property Profile of Dimethyl 5-{[(4,5-dihydro-1,3-thiazol-2-ylthio)acetyl]amino}isophthalate
Property Insights of Dimethyl 5-{[(4,5-dihydro-1,3-thiazol-2-ylthio)acetyl]amino}isophthalate
The XLogP value of 2.0343 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 5-{[(4,5-dihydro-1,3-thiazol-2-ylthio)acetyl]amino}isophthalate. The TPSA of 94.06 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 5-{[(4,5-dihydro-1,3-thiazol-2-ylthio)acetyl]amino}isophthalate. Following Lipinski's Rule of Five, Dimethyl 5-{[(4,5-dihydro-1,3-thiazol-2-ylthio)acetyl]amino}isophthalate has 1 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 Dimethyl 5-{[(4,5-dihydro-1,3-thiazol-2-ylthio)acetyl]amino}isophthalate?
The CAS number of Dimethyl 5-{[(4,5-dihydro-1,3-thiazol-2-ylthio)acetyl]amino}isophthalate is 825655-79-6.
What is the molecular formula of Dimethyl 5-{[(4,5-dihydro-1,3-thiazol-2-ylthio)acetyl]amino}isophthalate?
The molecular formula of Dimethyl 5-{[(4,5-dihydro-1,3-thiazol-2-ylthio)acetyl]amino}isophthalate is C15H16N2O5S2.
What is the molecular weight of Dimethyl 5-{[(4,5-dihydro-1,3-thiazol-2-ylthio)acetyl]amino}isophthalate?
The molecular weight of Dimethyl 5-{[(4,5-dihydro-1,3-thiazol-2-ylthio)acetyl]amino}isophthalate is 368.05 g/mol.
Where can I buy Dimethyl 5-{[(4,5-dihydro-1,3-thiazol-2-ylthio)acetyl]amino}isophthalate?
You can request a quote for Dimethyl 5-{[(4,5-dihydro-1,3-thiazol-2-ylthio)acetyl]amino}isophthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 5-{[(4,5-dihydro-1,3-thiazol-2-ylthio)acetyl]amino}isophthalate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 5-{[(4,5-dihydro-1,3-thiazol-2-ylthio)acetyl]amino}isophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.