RefChem:869340
TL;DR: RefChem:869340 (CAS 69929-15-3) is a chemical compound with molecular formula C17H20N6O2S2 and molecular weight 404.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[[5-[[4-[2-cyanoethyl(ethyl)amino]phenyl]diazenyl]-1,2,4-thiadiazol-3-yl]sulfanyl]propanoate
Also Known As: Propanoic acid, 3-[[5-[[4-[(2-cyanoethyl)ethylamino]phenyl]azo]-1,2,4-thiadiazol-3-yl]thio]-, methyl ester, Methyl 3-((5-((4-((2-cyanoethyl)ethylamino)phenyl)azo)-1,2,4-thiadiazol-3-yl)thio)propionate, Propanoic acid, 3-((5-((4-((2-cyanoethyl)ethylamino)phenyl)azo)-1,2,4-thiadiazol-3-yl)thio)-, methyl ester, Propanoic acid, 3-((5-(2-(4-((2-cyanoethyl)ethylamino)phenyl)diazenyl)-1,2,4-thiadiazol-3-yl)thio)-, methyl ester, methyl3-[[5-[[4-[ ethylamino]phenyl]azo]-1,2,4-thiadiazol-3-yl]thio]propionate
| Molecular Formula | C17H20N6O2S2 |
|---|---|
| Molecular Weight | 404.11 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 157.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 404.10892 |
| Heavy Atoms | 27 |
| Complexity | 533.0 |
Chemical Identifiers
| CAS Number | 69929-15-3 |
|---|---|
| SMILES | CCN(CCC#N)C1=CC=C(C=C1)N=NC2=NC(=NS2)SCCC(=O)OC |
| InChIKey | GGYJFRFXNKBWKW-UHFFFAOYSA-N |
Product Overview
RefChem:869340 (CAS 69929-15-3), with molecular formula C17H20N6O2S2 and molecular weight 404.11 g/mol. IUPAC: methyl 3-[[5-[[4-[2-cyanoethyl(ethyl)amino]phenyl]diazenyl]-1,2,4-thiadiazol-3-yl]sulfanyl]propanoate.
Chemical Property Profile of RefChem:869340
Property Insights of RefChem:869340
The XLogP value of 3.7 indicates that RefChem:869340 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 157.0 Ų indicates high polarity, suggesting RefChem:869340 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:869340 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 RefChem:869340?
The CAS number of RefChem:869340 is 69929-15-3.
What is the molecular formula of RefChem:869340?
The molecular formula of RefChem:869340 is C17H20N6O2S2.
What is the molecular weight of RefChem:869340?
The molecular weight of RefChem:869340 is 404.11 g/mol.
Where can I buy RefChem:869340?
You can request a quote for RefChem:869340 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:869340?
Yes, KEHONG BIO provides custom synthesis services for RefChem:869340 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.