Pentanoic acid, 4,4-bis(dodecylthio)-
TL;DR: Pentanoic acid, 4,4-bis(dodecylthio)- (CAS 4200-61-7) is a chemical compound with molecular formula C29H58O2S2 and molecular weight 502.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-bis(dodecylsulfanyl)pentanoic acid
Also Known As: tri-n-decyl phosphate, 4,4-Bis(dodecylthio)pentanoic acid, Pentanoic acid, 4,4-bis(dodecylthio)-, 4,4-Bis pentanoicacid, 4,4-Bis(dodecylthio)valeric acid
| Molecular Formula | C29H58O2S2 |
|---|---|
| Molecular Weight | 502.39 g/mol |
| LogP | 12.9 |
| Topological Polar Surface Area | 87.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 27 |
| Exact Mass | 502.38782 |
| Heavy Atoms | 33 |
| Complexity | 388.0 |
Chemical Identifiers
| CAS Number | 4200-61-7 |
|---|---|
| SMILES | CCCCCCCCCCCCSC(C)(CCC(=O)O)SCCCCCCCCCCCC |
| InChIKey | XWIMFKGLFGDSOG-UHFFFAOYSA-N |
Product Overview
Pentanoic acid, 4,4-bis(dodecylthio)- (CAS 4200-61-7), with molecular formula C29H58O2S2 and molecular weight 502.39 g/mol. IUPAC: 4,4-bis(dodecylsulfanyl)pentanoic acid.
Chemical Property Profile of Pentanoic acid, 4,4-bis(dodecylthio)-
Property Insights of Pentanoic acid, 4,4-bis(dodecylthio)-
The XLogP value of 12.9 indicates that Pentanoic acid, 4,4-bis(dodecylthio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Pentanoic acid, 4,4-bis(dodecylthio)-. Following Lipinski's Rule of Five, Pentanoic acid, 4,4-bis(dodecylthio)- has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pentanoic acid, 4,4-bis(dodecylthio)-?
The CAS number of Pentanoic acid, 4,4-bis(dodecylthio)- is 4200-61-7.
What is the molecular formula of Pentanoic acid, 4,4-bis(dodecylthio)-?
The molecular formula of Pentanoic acid, 4,4-bis(dodecylthio)- is C29H58O2S2.
What is the molecular weight of Pentanoic acid, 4,4-bis(dodecylthio)-?
The molecular weight of Pentanoic acid, 4,4-bis(dodecylthio)- is 502.39 g/mol.
Where can I buy Pentanoic acid, 4,4-bis(dodecylthio)-?
You can request a quote for Pentanoic acid, 4,4-bis(dodecylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentanoic acid, 4,4-bis(dodecylthio)-?
Yes, KEHONG BIO provides custom synthesis services for Pentanoic acid, 4,4-bis(dodecylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.