Carbonic acid, dithio-, S-(2-aminoethyl) ester, S-ester with 6-mercaptohexanoic acid, hydrochloride
TL;DR: Carbonic acid, dithio-, S-(2-aminoethyl) ester, S-ester with 6-mercaptohexanoic acid, hydrochloride (CAS 22034-13-5) is a chemical compound with molecular formula C9H18ClNO3S2 and molecular weight 287.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2-aminoethylsulfanylcarbonylsulfanyl)hexanoic acid;hydrochloride
Also Known As: Carbonic acid, dithio-, S-(2-aminoethyl) ester, S-ester with 6-mercaptohexanoic acid, hydrochloride, Dithiocarbonic acid S-(2-aminoethyl) ester S-ester with 6-mercaptohexanoic acid hydrochloride, 6-({[(2-aminoethyl)sulfanyl]carbonyl}sulfanyl)hexanoic acid hydrochloride(1:1), 6-(2-aminoethylsulfanylcarbonylsulfanyl)hexanoic acid hydrochloride, 6-({[(2-Aminoethyl)sulfanyl]carbonyl}sulfanyl)hexanoic acid--hydrogen chloride (1/1)
| Molecular Formula | C9H18ClNO3S2 |
|---|---|
| Molecular Weight | 287.04 g/mol |
| LogP | 2.5983 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 287.04166 |
| Heavy Atoms | 16 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 22034-13-5 |
|---|---|
| SMILES | C(CCC(=O)O)CCSC(=O)SCCN.Cl |
| InChIKey | QHYUSMGDAKIAHK-UHFFFAOYSA-N |
Product Overview
Carbonic acid, dithio-, S-(2-aminoethyl) ester, S-ester with 6-mercaptohexanoic acid, hydrochloride (CAS 22034-13-5), with molecular formula C9H18ClNO3S2 and molecular weight 287.04 g/mol. IUPAC: 6-(2-aminoethylsulfanylcarbonylsulfanyl)hexanoic acid;hydrochloride.
Chemical Property Profile of Carbonic acid, dithio-, S-(2-aminoethyl) ester, S-ester with 6-mercaptohexanoic acid, hydrochloride
Property Insights of Carbonic acid, dithio-, S-(2-aminoethyl) ester, S-ester with 6-mercaptohexanoic acid, hydrochloride
The XLogP value of 2.5983 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbonic acid, dithio-, S-(2-aminoethyl) ester, S-ester with 6-mercaptohexanoic acid, hydrochloride. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbonic acid, dithio-, S-(2-aminoethyl) ester, S-ester with 6-mercaptohexanoic acid, hydrochloride. Following Lipinski's Rule of Five, Carbonic acid, dithio-, S-(2-aminoethyl) ester, S-ester with 6-mercaptohexanoic acid, hydrochloride has 3 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 Carbonic acid, dithio-, S-(2-aminoethyl) ester, S-ester with 6-mercaptohexanoic acid, hydrochloride?
The CAS number of Carbonic acid, dithio-, S-(2-aminoethyl) ester, S-ester with 6-mercaptohexanoic acid, hydrochloride is 22034-13-5.
What is the molecular formula of Carbonic acid, dithio-, S-(2-aminoethyl) ester, S-ester with 6-mercaptohexanoic acid, hydrochloride?
The molecular formula of Carbonic acid, dithio-, S-(2-aminoethyl) ester, S-ester with 6-mercaptohexanoic acid, hydrochloride is C9H18ClNO3S2.
What is the molecular weight of Carbonic acid, dithio-, S-(2-aminoethyl) ester, S-ester with 6-mercaptohexanoic acid, hydrochloride?
The molecular weight of Carbonic acid, dithio-, S-(2-aminoethyl) ester, S-ester with 6-mercaptohexanoic acid, hydrochloride is 287.04 g/mol.
Where can I buy Carbonic acid, dithio-, S-(2-aminoethyl) ester, S-ester with 6-mercaptohexanoic acid, hydrochloride?
You can request a quote for Carbonic acid, dithio-, S-(2-aminoethyl) ester, S-ester with 6-mercaptohexanoic acid, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbonic acid, dithio-, S-(2-aminoethyl) ester, S-ester with 6-mercaptohexanoic acid, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Carbonic acid, dithio-, S-(2-aminoethyl) ester, S-ester with 6-mercaptohexanoic acid, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.