Succinimido-6-mercapto-S-(4-azidothiophenyl)hexanoate
TL;DR: Succinimido-6-mercapto-S-(4-azidothiophenyl)hexanoate (CAS 91418-71-2) is a chemical compound with molecular formula C16H18N4O4S2 and molecular weight 394.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,5-dioxopyrrolidin-1-yl) 6-[(4-azidophenyl)disulfanyl]hexanoate
Also Known As: Smazth, Berlopentin, 2,5-Pyrrolidinedione, 1-((6-((4-azidophenyl)dithio)-1-oxohexyl)oxy)-, Succinimido-6-mercapto-S-(4-azidothiophenyl)hexanoate, N-succinimidyl-6-(4-azidophenyldithio)capronate
| Molecular Formula | C16H18N4O4S2 |
|---|---|
| Molecular Weight | 394.08 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 394.07693 |
| Heavy Atoms | 26 |
| Complexity | 544.0 |
Chemical Identifiers
| CAS Number | 91418-71-2 |
|---|---|
| SMILES | C1CC(=O)N(C1=O)OC(=O)CCCCCSSC2=CC=C(C=C2)N=[N+]=[N-] |
| InChIKey | NYZVPJADJBSGAH-UHFFFAOYSA-N |
Product Overview
Succinimido-6-mercapto-S-(4-azidothiophenyl)hexanoate (CAS 91418-71-2), with molecular formula C16H18N4O4S2 and molecular weight 394.08 g/mol. IUPAC: (2,5-dioxopyrrolidin-1-yl) 6-[(4-azidophenyl)disulfanyl]hexanoate.
Chemical Property Profile of Succinimido-6-mercapto-S-(4-azidothiophenyl)hexanoate
Property Insights of Succinimido-6-mercapto-S-(4-azidothiophenyl)hexanoate
The XLogP value of 3.4 indicates that Succinimido-6-mercapto-S-(4-azidothiophenyl)hexanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Succinimido-6-mercapto-S-(4-azidothiophenyl)hexanoate. Following Lipinski's Rule of Five, Succinimido-6-mercapto-S-(4-azidothiophenyl)hexanoate has 0 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 Succinimido-6-mercapto-S-(4-azidothiophenyl)hexanoate?
The CAS number of Succinimido-6-mercapto-S-(4-azidothiophenyl)hexanoate is 91418-71-2.
What is the molecular formula of Succinimido-6-mercapto-S-(4-azidothiophenyl)hexanoate?
The molecular formula of Succinimido-6-mercapto-S-(4-azidothiophenyl)hexanoate is C16H18N4O4S2.
What is the molecular weight of Succinimido-6-mercapto-S-(4-azidothiophenyl)hexanoate?
The molecular weight of Succinimido-6-mercapto-S-(4-azidothiophenyl)hexanoate is 394.08 g/mol.
Where can I buy Succinimido-6-mercapto-S-(4-azidothiophenyl)hexanoate?
You can request a quote for Succinimido-6-mercapto-S-(4-azidothiophenyl)hexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Succinimido-6-mercapto-S-(4-azidothiophenyl)hexanoate?
Yes, KEHONG BIO provides custom synthesis services for Succinimido-6-mercapto-S-(4-azidothiophenyl)hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.