2,2'-(亚甲基二硫代)二乙酸
TL;DR: 2,2'-(亚甲基二硫代)二乙酸 (CAS 34914-27-7) is a chemical compound with molecular formula C12H12O6S2 and molecular weight 316.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2'-(亚甲基二硫代)二乙酸
2-[1,3-benzodioxol-5-yl(carboxymethylsulfanyl)methyl]sulfanylacetic acid
Also Known As: (Piperonylidenedithio)diacetic acid, Maybridge1_000343, 2,2'-[bis]bisaceticacid, 2,2'-[ bis ]bisaceticacid, 2,2'-(Piperonylidenedithio)diacetic acid
| Molecular Formula | C12H12O6S2 |
|---|---|
| Molecular Weight | 316.01 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 316.00754 |
| Heavy Atoms | 20 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 34914-27-7 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C(SCC(=O)O)SCC(=O)O |
| InChIKey | VNAYOZFFVJKRMJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2'-(亚甲基二硫代)二乙酸 (CAS 34914-27-7), with molecular formula C12H12O6S2 and molecular weight 316.01 g/mol. IUPAC: 2-[1,3-benzodioxol-5-yl(carboxymethylsulfanyl)methyl]sulfanylacetic acid.
Chemical Property Profile of 2,2'-(亚甲基二硫代)二乙酸
Property Insights of 2,2'-(亚甲基二硫代)二乙酸
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2'-(亚甲基二硫代)二乙酸. The TPSA of 144.0 Ų indicates high polarity, suggesting 2,2'-(亚甲基二硫代)二乙酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,2'-(亚甲基二硫代)二乙酸 has 2 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 2,2'-(亚甲基二硫代)二乙酸?
The CAS number of 2,2'-(亚甲基二硫代)二乙酸 is 34914-27-7.
What is the molecular formula of 2,2'-(亚甲基二硫代)二乙酸?
The molecular formula of 2,2'-(亚甲基二硫代)二乙酸 is C12H12O6S2.
What is the molecular weight of 2,2'-(亚甲基二硫代)二乙酸?
The molecular weight of 2,2'-(亚甲基二硫代)二乙酸 is 316.01 g/mol.
Where can I buy 2,2'-(亚甲基二硫代)二乙酸?
You can request a quote for 2,2'-(亚甲基二硫代)二乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2'-(亚甲基二硫代)二乙酸?
Yes, KEHONG BIO provides custom synthesis services for 2,2'-(亚甲基二硫代)二乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.