GT094 cpd
TL;DR: GT094 cpd (CAS 349472-62-4) is a chemical compound with molecular formula C12H14N2O8S2 and molecular weight 378.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(2,3-dinitrooxypropyldisulfanyl)benzoate
Also Known As: GT094 cpd, GT 094, Benzoic acid, 2-((2,3-bis(nitrooxy)propyl)dithio)-, ethyl ester, Ethyl 2-(2,3-dinitrooxypropyldisulfanyl)benzoate, ethyl 2-((2,3-bis(nitrooxy)propyl)disulfanyl)benzoate
| Molecular Formula | C12H14N2O8S2 |
|---|---|
| Molecular Weight | 378.02 g/mol |
| LogP | 2.3888 |
| Topological Polar Surface Area | 131.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 378.01917 |
| Heavy Atoms | 24 |
| Complexity | 585.9312 |
Chemical Identifiers
| CAS Number | 349472-62-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=CC=C1SSCC(CO[N+](=O)[O-])O[N+](=O)[O-] |
Product Overview
GT094 cpd (CAS 349472-62-4), with molecular formula C12H14N2O8S2 and molecular weight 378.02 g/mol. IUPAC: ethyl 2-(2,3-dinitrooxypropyldisulfanyl)benzoate.
Chemical Property Profile of GT094 cpd
Property Insights of GT094 cpd
The XLogP value of 2.3888 suggests moderate lipophilicity, balancing water solubility and membrane permeability for GT094 cpd. The TPSA of 131.04 Ų falls within the moderate polarity range, balancing permeability and solubility for GT094 cpd. Following Lipinski's Rule of Five, GT094 cpd has 0 hydrogen bond donor(s) and 10 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 GT094 cpd?
The CAS number of GT094 cpd is 349472-62-4.
What is the molecular formula of GT094 cpd?
The molecular formula of GT094 cpd is C12H14N2O8S2.
What is the molecular weight of GT094 cpd?
The molecular weight of GT094 cpd is 378.02 g/mol.
Where can I buy GT094 cpd?
You can request a quote for GT094 cpd directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for GT094 cpd?
Yes, KEHONG BIO provides custom synthesis services for GT094 cpd and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.