((Octahydro-2-oxo-7-tetradecylidene-2H-1-benzopyran-8-yl)thio)acetic acid
TL;DR: ((Octahydro-2-oxo-7-tetradecylidene-2H-1-benzopyran-8-yl)thio)acetic acid (CAS 129357-91-1) is a chemical compound with molecular formula C25H42O4S and molecular weight 438.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(2Z,4aS,8S,8aS)-2-(2-oxotetradecan-7-ylidene)-3,4,4a,5,6,7,8,8a-octahydrochromen-8-yl]sulfanyl]acetic acid
Also Known As: Mdl 43291, Mdl 43,291, ((Octahydro-2-oxo-7-tetradecylidene-2H-1-benzopyran-8-yl)thio)acetic acid, (4aalpha,7Z,8beta,8abeta)-((Octahydro-2-oxo-7-tetradecylidene-2H-1-benzopyran-8-yl)thio)acetic acid, 2-[[(2Z,4aS,8S,8aS)-2-(2-oxotetradecan-7-ylidene)-3,4,4a,5,6,7,8,8a-octahydrochromen-8-yl]sulfanyl]acetic acid
| Molecular Formula | C25H42O4S |
|---|---|
| Molecular Weight | 438.28 g/mol |
| LogP | 6.9159 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 14 |
| Exact Mass | 438.2804 |
| Heavy Atoms | 30 |
| Complexity | 571.4959 |
Chemical Identifiers
| CAS Number | 129357-91-1 |
|---|---|
| SMILES | CCCCCCC/C(=C/1\CC[C@@H]2CCC[C@@H]([C@H]2O1)SCC(=O)O)/CCCCC(=O)C |
Product Overview
((Octahydro-2-oxo-7-tetradecylidene-2H-1-benzopyran-8-yl)thio)acetic acid (CAS 129357-91-1), with molecular formula C25H42O4S and molecular weight 438.28 g/mol. IUPAC: 2-[[(2Z,4aS,8S,8aS)-2-(2-oxotetradecan-7-ylidene)-3,4,4a,5,6,7,8,8a-octahydrochromen-8-yl]sulfanyl]acetic acid.
Chemical Property Profile of ((Octahydro-2-oxo-7-tetradecylidene-2H-1-benzopyran-8-yl)thio)acetic acid
Property Insights of ((Octahydro-2-oxo-7-tetradecylidene-2H-1-benzopyran-8-yl)thio)acetic acid
The XLogP value of 6.9159 indicates that ((Octahydro-2-oxo-7-tetradecylidene-2H-1-benzopyran-8-yl)thio)acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for ((Octahydro-2-oxo-7-tetradecylidene-2H-1-benzopyran-8-yl)thio)acetic acid. Following Lipinski's Rule of Five, ((Octahydro-2-oxo-7-tetradecylidene-2H-1-benzopyran-8-yl)thio)acetic acid 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 ((Octahydro-2-oxo-7-tetradecylidene-2H-1-benzopyran-8-yl)thio)acetic acid?
The CAS number of ((Octahydro-2-oxo-7-tetradecylidene-2H-1-benzopyran-8-yl)thio)acetic acid is 129357-91-1.
What is the molecular formula of ((Octahydro-2-oxo-7-tetradecylidene-2H-1-benzopyran-8-yl)thio)acetic acid?
The molecular formula of ((Octahydro-2-oxo-7-tetradecylidene-2H-1-benzopyran-8-yl)thio)acetic acid is C25H42O4S.
What is the molecular weight of ((Octahydro-2-oxo-7-tetradecylidene-2H-1-benzopyran-8-yl)thio)acetic acid?
The molecular weight of ((Octahydro-2-oxo-7-tetradecylidene-2H-1-benzopyran-8-yl)thio)acetic acid is 438.28 g/mol.
Where can I buy ((Octahydro-2-oxo-7-tetradecylidene-2H-1-benzopyran-8-yl)thio)acetic acid?
You can request a quote for ((Octahydro-2-oxo-7-tetradecylidene-2H-1-benzopyran-8-yl)thio)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ((Octahydro-2-oxo-7-tetradecylidene-2H-1-benzopyran-8-yl)thio)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for ((Octahydro-2-oxo-7-tetradecylidene-2H-1-benzopyran-8-yl)thio)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.