Butyric acid, 3,3-bis((p-(1-carboxy-1-methylethoxy)phenyl)thio)-
TL;DR: Butyric acid, 3,3-bis((p-(1-carboxy-1-methylethoxy)phenyl)thio)- (CAS 99661-82-2) is a chemical compound with molecular formula C24H28O8S2 and molecular weight 508.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-bis[[4-(2-carboxypropan-2-yloxy)phenyl]sulfanyl]butanoic acid
Also Known As: MG 6893, 3,3-Bis((p-(1-carboxy-1-methylethoxy)phenyl)thio)butyric acid, Butanoic acid, 3,3-bis((4-(1-carboxy-1-methylethoxy)phenyl)thio)-, Butyric acid, 3,3-bis((p-(1-carboxy-1-methylethoxy)phenyl)thio)-, Acido 3,3-bis-(4-(alpha-carbossiisopropossi)fenilmercapto)butirrico
| Molecular Formula | C24H28O8S2 |
|---|---|
| Molecular Weight | 508.12 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 181.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 508.12256 |
| Heavy Atoms | 34 |
| Complexity | 672.0 |
Chemical Identifiers
| CAS Number | 99661-82-2 |
|---|---|
| SMILES | CC(C)(C(=O)O)OC1=CC=C(C=C1)SC(C)(CC(=O)O)SC2=CC=C(C=C2)OC(C)(C)C(=O)O |
| InChIKey | VSVKHJVFMKWRJV-UHFFFAOYSA-N |
Product Overview
Butyric acid, 3,3-bis((p-(1-carboxy-1-methylethoxy)phenyl)thio)- (CAS 99661-82-2), with molecular formula C24H28O8S2 and molecular weight 508.12 g/mol. IUPAC: 3,3-bis[[4-(2-carboxypropan-2-yloxy)phenyl]sulfanyl]butanoic acid.
Chemical Property Profile of Butyric acid, 3,3-bis((p-(1-carboxy-1-methylethoxy)phenyl)thio)-
Property Insights of Butyric acid, 3,3-bis((p-(1-carboxy-1-methylethoxy)phenyl)thio)-
The XLogP value of 4.8 indicates that Butyric acid, 3,3-bis((p-(1-carboxy-1-methylethoxy)phenyl)thio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 181.0 Ų indicates high polarity, suggesting Butyric acid, 3,3-bis((p-(1-carboxy-1-methylethoxy)phenyl)thio)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Butyric acid, 3,3-bis((p-(1-carboxy-1-methylethoxy)phenyl)thio)- has 3 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Butyric acid, 3,3-bis((p-(1-carboxy-1-methylethoxy)phenyl)thio)-?
The CAS number of Butyric acid, 3,3-bis((p-(1-carboxy-1-methylethoxy)phenyl)thio)- is 99661-82-2.
What is the molecular formula of Butyric acid, 3,3-bis((p-(1-carboxy-1-methylethoxy)phenyl)thio)-?
The molecular formula of Butyric acid, 3,3-bis((p-(1-carboxy-1-methylethoxy)phenyl)thio)- is C24H28O8S2.
What is the molecular weight of Butyric acid, 3,3-bis((p-(1-carboxy-1-methylethoxy)phenyl)thio)-?
The molecular weight of Butyric acid, 3,3-bis((p-(1-carboxy-1-methylethoxy)phenyl)thio)- is 508.12 g/mol.
Where can I buy Butyric acid, 3,3-bis((p-(1-carboxy-1-methylethoxy)phenyl)thio)-?
You can request a quote for Butyric acid, 3,3-bis((p-(1-carboxy-1-methylethoxy)phenyl)thio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyric acid, 3,3-bis((p-(1-carboxy-1-methylethoxy)phenyl)thio)-?
Yes, KEHONG BIO provides custom synthesis services for Butyric acid, 3,3-bis((p-(1-carboxy-1-methylethoxy)phenyl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.