alpha-Thenoate iodo thymol
TL;DR: alpha-Thenoate iodo thymol (CAS 4079-28-1) is a chemical compound with molecular formula C15H15IO2S and molecular weight 385.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-iodo-5-methyl-2-propan-2-ylphenyl) thiophene-2-carboxylate
Also Known As: alpha-Thenoate iodo thymol, alpha-Thenoate iodo thymol [French], 4-Iodo-5-methyl-2-(1-methylethyl)phenyl 2-thiophenecarboxylate, 4-iodo-5-methyl-2-(propan-2-yl)phenyl thiophene-2-carboxylate, 2-Thiophenecarboxylic acid, 4-iodo-5-methyl-2-(1-methylethyl)phenyl ester
| Molecular Formula | C15H15IO2S |
|---|---|
| Molecular Weight | 385.98 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 385.98376 |
| Heavy Atoms | 19 |
| Complexity | 321.0 |
Chemical Identifiers
| CAS Number | 4079-28-1 |
|---|---|
| SMILES | CC1=CC(=C(C=C1I)C(C)C)OC(=O)C2=CC=CS2 |
| InChIKey | SVXOTJQFDBTJBZ-UHFFFAOYSA-N |
Product Overview
alpha-Thenoate iodo thymol (CAS 4079-28-1), with molecular formula C15H15IO2S and molecular weight 385.98 g/mol. IUPAC: (4-iodo-5-methyl-2-propan-2-ylphenyl) thiophene-2-carboxylate.
Chemical Property Profile of alpha-Thenoate iodo thymol
Property Insights of alpha-Thenoate iodo thymol
The XLogP value of 5.5 indicates that alpha-Thenoate iodo thymol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.5 Ų, alpha-Thenoate iodo thymol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-Thenoate iodo thymol has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of alpha-Thenoate iodo thymol?
The CAS number of alpha-Thenoate iodo thymol is 4079-28-1.
What is the molecular formula of alpha-Thenoate iodo thymol?
The molecular formula of alpha-Thenoate iodo thymol is C15H15IO2S.
What is the molecular weight of alpha-Thenoate iodo thymol?
The molecular weight of alpha-Thenoate iodo thymol is 385.98 g/mol.
Where can I buy alpha-Thenoate iodo thymol?
You can request a quote for alpha-Thenoate iodo thymol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Thenoate iodo thymol?
Yes, KEHONG BIO provides custom synthesis services for alpha-Thenoate iodo thymol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.