Di-(isoamyl)dimercaptosuccinate
TL;DR: Di-(isoamyl)dimercaptosuccinate (CAS 118908-63-7) is a chemical compound with molecular formula C14H26O4S2 and molecular weight 322.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(3-methylbutyl) (2S,3R)-2,3-bis(sulfanyl)butanedioate
Also Known As: Diadms, Di-(isoamyl)dimercaptosuccinate, 2,2-bis(3-methylbutyl)-3,3-bis(sulfanyl)butanedioate, bis(3-methylbutyl) (2S,3R)-2,3-bis(sulfanyl)butanedioate, Heptanoic acid [2-(2-hydroxy-ethoxy)-ethyl]-amide
| Molecular Formula | C14H26O4S2 |
|---|---|
| Molecular Weight | 322.13 g/mol |
| LogP | 2.7618 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 322.12726 |
| Heavy Atoms | 20 |
| Complexity | 275.54904 |
Chemical Identifiers
| CAS Number | 118908-63-7 |
|---|---|
| SMILES | CC(C)CCOC(=O)[C@@H]([C@@H](C(=O)OCCC(C)C)S)S |
Product Overview
Di-(isoamyl)dimercaptosuccinate (CAS 118908-63-7), with molecular formula C14H26O4S2 and molecular weight 322.13 g/mol. IUPAC: bis(3-methylbutyl) (2S,3R)-2,3-bis(sulfanyl)butanedioate.
Chemical Property Profile of Di-(isoamyl)dimercaptosuccinate
Property Insights of Di-(isoamyl)dimercaptosuccinate
The XLogP value of 2.7618 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Di-(isoamyl)dimercaptosuccinate. With a topological polar surface area (TPSA) of 52.6 Ų, Di-(isoamyl)dimercaptosuccinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Di-(isoamyl)dimercaptosuccinate has 2 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 Di-(isoamyl)dimercaptosuccinate?
The CAS number of Di-(isoamyl)dimercaptosuccinate is 118908-63-7.
What is the molecular formula of Di-(isoamyl)dimercaptosuccinate?
The molecular formula of Di-(isoamyl)dimercaptosuccinate is C14H26O4S2.
What is the molecular weight of Di-(isoamyl)dimercaptosuccinate?
The molecular weight of Di-(isoamyl)dimercaptosuccinate is 322.13 g/mol.
Where can I buy Di-(isoamyl)dimercaptosuccinate?
You can request a quote for Di-(isoamyl)dimercaptosuccinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Di-(isoamyl)dimercaptosuccinate?
Yes, KEHONG BIO provides custom synthesis services for Di-(isoamyl)dimercaptosuccinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.