Di-(isobutyl)dimercaptosuccinate
TL;DR: Di-(isobutyl)dimercaptosuccinate (CAS 118908-62-6) is a chemical compound with molecular formula C12H22O4S2 and molecular weight 294.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-methylpropyl) (2S,3R)-2,3-bis(sulfanyl)butanedioate
Also Known As: Dibdms, Di-(isobutyl)dimercaptosuccinate, Heptanoic acid [2-(2-hydroxy-ethoxy)-ethyl]-amide, bis(2-methylpropyl) (2S,3R)-2,3-bis(sulfanyl)butanedioate, BIS(2-METHYLPROPYL) (2S,3R)-2,3-BIS-SULFANYLBUTANEDIOATE
| Molecular Formula | C12H22O4S2 |
|---|---|
| Molecular Weight | 294.10 g/mol |
| LogP | 1.9816 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 294.09595 |
| Heavy Atoms | 18 |
| Complexity | 251.25098 |
Chemical Identifiers
| CAS Number | 118908-62-6 |
|---|---|
| SMILES | CC(C)COC(=O)[C@@H]([C@@H](C(=O)OCC(C)C)S)S |
Product Overview
Di-(isobutyl)dimercaptosuccinate (CAS 118908-62-6), with molecular formula C12H22O4S2 and molecular weight 294.10 g/mol. IUPAC: bis(2-methylpropyl) (2S,3R)-2,3-bis(sulfanyl)butanedioate.
Chemical Property Profile of Di-(isobutyl)dimercaptosuccinate
Property Insights of Di-(isobutyl)dimercaptosuccinate
The XLogP value of 1.9816 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Di-(isobutyl)dimercaptosuccinate. With a topological polar surface area (TPSA) of 52.6 Ų, Di-(isobutyl)dimercaptosuccinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Di-(isobutyl)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-(isobutyl)dimercaptosuccinate?
The CAS number of Di-(isobutyl)dimercaptosuccinate is 118908-62-6.
What is the molecular formula of Di-(isobutyl)dimercaptosuccinate?
The molecular formula of Di-(isobutyl)dimercaptosuccinate is C12H22O4S2.
What is the molecular weight of Di-(isobutyl)dimercaptosuccinate?
The molecular weight of Di-(isobutyl)dimercaptosuccinate is 294.10 g/mol.
Where can I buy Di-(isobutyl)dimercaptosuccinate?
You can request a quote for Di-(isobutyl)dimercaptosuccinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Di-(isobutyl)dimercaptosuccinate?
Yes, KEHONG BIO provides custom synthesis services for Di-(isobutyl)dimercaptosuccinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.