β,β'-二硫代双苯丙酸
TL;DR: β,β'-二硫代双苯丙酸 (CAS 63684-32-2) is a chemical compound with molecular formula C18H18O4S2 and molecular weight 362.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
β,β'-二硫代双苯丙酸
3-[(2-carboxy-1-phenylethyl)disulfanyl]-3-phenylpropanoic acid
Also Known As: Benzenepropanoic acid, beta,beta'-dithiobis-, 3,3'-Dithiobis(3-phenylpropionic) acid, 3-[(2-carboxy-1-phenylethyl)disulfanyl]-3-phenylpropanoic acid, 3,3'-Dithiobis(3-phynylpropionic) acid, 3-(acetylsulfanyl)butanoic acid
| Molecular Formula | C18H18O4S2 |
|---|---|
| Molecular Weight | 362.06 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 362.06464 |
| Heavy Atoms | 24 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 63684-32-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(CC(=O)O)SSC(CC(=O)O)C2=CC=CC=C2 |
| InChIKey | QEUYTFJIJXIVLP-UHFFFAOYSA-N |
Product Overview
β,β'-二硫代双苯丙酸 (CAS 63684-32-2), with molecular formula C18H18O4S2 and molecular weight 362.06 g/mol. IUPAC: 3-[(2-carboxy-1-phenylethyl)disulfanyl]-3-phenylpropanoic acid.
Chemical Property Profile of β,β'-二硫代双苯丙酸
Property Insights of β,β'-二硫代双苯丙酸
The XLogP value of 3.0 indicates that β,β'-二硫代双苯丙酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for β,β'-二硫代双苯丙酸. Following Lipinski's Rule of Five, β,β'-二硫代双苯丙酸 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 β,β'-二硫代双苯丙酸?
The CAS number of β,β'-二硫代双苯丙酸 is 63684-32-2.
What is the molecular formula of β,β'-二硫代双苯丙酸?
The molecular formula of β,β'-二硫代双苯丙酸 is C18H18O4S2.
What is the molecular weight of β,β'-二硫代双苯丙酸?
The molecular weight of β,β'-二硫代双苯丙酸 is 362.06 g/mol.
Where can I buy β,β'-二硫代双苯丙酸?
You can request a quote for β,β'-二硫代双苯丙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for β,β'-二硫代双苯丙酸?
Yes, KEHONG BIO provides custom synthesis services for β,β'-二硫代双苯丙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.