Acetic acid, (4H-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepin-5-ylthio)-, ethyl ester
TL;DR: Acetic acid, (4H-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepin-5-ylthio)-, ethyl ester (CAS 137731-27-2) is a chemical compound with molecular formula C14H14N4O2S and molecular weight 302.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-ylsulfanyl)acetate
Also Known As: Acetic acid, (4H-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepin-5-ylthio)-, ethyl ester, 5-(((Ethoxycarbonyl)methyl)thio)-4H-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepine, 5-[(Ethoxycarbonylmethyl)thio]-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine, Ethyl [(4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-yl)sulfanyl]acetate, ethyl 2-(4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-ylsulfanyl)acetate
| Molecular Formula | C14H14N4O2S |
|---|---|
| Molecular Weight | 302.08 g/mol |
| LogP | 2.1497 |
| Topological Polar Surface Area | 69.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 302.08374 |
| Heavy Atoms | 21 |
| Complexity | 695.78735 |
Chemical Identifiers
| CAS Number | 137731-27-2 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC2=CC=CC=C2N3C=NN=C3C1 |
Product Overview
Acetic acid, (4H-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepin-5-ylthio)-, ethyl ester (CAS 137731-27-2), with molecular formula C14H14N4O2S and molecular weight 302.08 g/mol. IUPAC: ethyl 2-(4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-ylsulfanyl)acetate.
Chemical Property Profile of Acetic acid, (4H-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepin-5-ylthio)-, ethyl ester
Property Insights of Acetic acid, (4H-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepin-5-ylthio)-, ethyl ester
The XLogP value of 2.1497 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, (4H-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepin-5-ylthio)-, ethyl ester. The TPSA of 69.37 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, (4H-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepin-5-ylthio)-, ethyl ester. Following Lipinski's Rule of Five, Acetic acid, (4H-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepin-5-ylthio)-, ethyl ester has 0 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 Acetic acid, (4H-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepin-5-ylthio)-, ethyl ester?
The CAS number of Acetic acid, (4H-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepin-5-ylthio)-, ethyl ester is 137731-27-2.
What is the molecular formula of Acetic acid, (4H-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepin-5-ylthio)-, ethyl ester?
The molecular formula of Acetic acid, (4H-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepin-5-ylthio)-, ethyl ester is C14H14N4O2S.
What is the molecular weight of Acetic acid, (4H-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepin-5-ylthio)-, ethyl ester?
The molecular weight of Acetic acid, (4H-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepin-5-ylthio)-, ethyl ester is 302.08 g/mol.
Where can I buy Acetic acid, (4H-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepin-5-ylthio)-, ethyl ester?
You can request a quote for Acetic acid, (4H-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepin-5-ylthio)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, (4H-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepin-5-ylthio)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, (4H-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepin-5-ylthio)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.