双(仲亚丁基二硫代)乙酸
TL;DR: 双(仲亚丁基二硫代)乙酸 (CAS 4265-61-6) is a chemical compound with molecular formula C8H14O4S2 and molecular weight 238.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
双(仲亚丁基二硫代)乙酸
2-[2-(carboxymethylsulfanyl)butan-2-ylsulfanyl]acetic acid
Also Known As: [ bisthio]diaceticacid|(sec-Butylidenedithio)diacetic acid|ACETIC ACID, (sec-BUTYLIDENEDITHIO)DI-|Methylaethylketon-mercaptolessigsaeure|3-03-00-00420 (Beilstein Handbook Reference)|[(1-Methylpropylidene)bisthio]diacetic acid|2-[2-(carboxymethylsulfanyl)butan-2-ylsulfanyl]acetic acid|Acetic acid, [(1-methylpropylidene)bis(thio)]bis-|2,2'-[Butane-2,2-diylbis(sulfanediyl)]diacetic acid|2-({2-[(carboxymethyl)sulfanyl]butan-2-yl}sulfanyl)acetic acid|BRN 1782940|RefChem:316353|DTXCID30117872
| Molecular Formula | C8H14O4S2 |
|---|---|
| Molecular Weight | 238.03 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 238.03336 |
| Heavy Atoms | 14 |
| Complexity | 199.0 |
Chemical Identifiers
| CAS Number | 4265-61-6 |
|---|---|
| SMILES | CCC(C)(SCC(=O)O)SCC(=O)O |
| InChIKey | WJUAJNWYBNSKAO-UHFFFAOYSA-N |
Product Overview
双(仲亚丁基二硫代)乙酸 (CAS 4265-61-6), with molecular formula C8H14O4S2 and molecular weight 238.03 g/mol. IUPAC: 2-[2-(carboxymethylsulfanyl)butan-2-ylsulfanyl]acetic acid.
Chemical Property Profile of 双(仲亚丁基二硫代)乙酸
Property Insights of 双(仲亚丁基二硫代)乙酸
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 双(仲亚丁基二硫代)乙酸. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 双(仲亚丁基二硫代)乙酸. Following Lipinski's Rule of Five, 双(仲丁叉二硫)乙酸 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 双(仲丁叉二硫)乙酸?
The CAS number of 双(仲丁叉二硫)乙酸 is 4265-61-6.
What is the molecular formula of 双(仲丁叉二硫)乙酸?
The molecular formula of 双(仲丁叉二硫)乙酸 is C8H14O4S2.
What is the molecular weight of 双(仲丁叉二硫)乙酸?
The molecular weight of 双(仲丁叉二硫)乙酸 is 238.03 g/mol.
Where can I buy 双(仲丁叉二硫)乙酸?
You can request a quote for 双(仲丁叉二硫)乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 双(仲丁叉二硫)乙酸?
Yes, KEHONG BIO provides custom synthesis services for 双(仲丁叉二硫)乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.