3,6-二甲基-3-苯基庚酸
TL;DR: 3,6-二甲基-3-苯基庚酸 (CAS 101913-71-7) is a chemical compound with molecular formula C15H22O2 and molecular weight 234.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6-二甲基-3-苯基庚酸
3,6-dimethyl-3-phenylheptanoic acid
Also Known As: 3,6-Dimethyl-3-phenylheptanoic acid, 3,6-DIMETHYL-3-PHENYL-HEPTANOIC ACID, Hydrocinnamic acid, beta-isopentyl-beta-methyl-, HEPTANOIC ACID, 3,6-DIMETHYL-3-PHENYL-, Benzenepropanoic acid, b-methyl-b-(3-methylbutyl)-
| Molecular Formula | C15H22O2 |
|---|---|
| Molecular Weight | 234.16 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 234.16199 |
| Heavy Atoms | 17 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 101913-71-7 |
|---|---|
| SMILES | CC(C)CCC(C)(CC(=O)O)C1=CC=CC=C1 |
| InChIKey | YIHLJIOCTULOLG-UHFFFAOYSA-N |
Product Overview
3,6-二甲基-3-苯基庚酸 (CAS 101913-71-7), with molecular formula C15H22O2 and molecular weight 234.16 g/mol. IUPAC: 3,6-dimethyl-3-phenylheptanoic acid.
Chemical Property Profile of 3,6-二甲基-3-苯基庚酸
Property Insights of 3,6-二甲基-3-苯基庚酸
The XLogP value of 4.4 indicates that 3,6-二甲基-3-苯基庚酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 3,6-二甲基-3-苯基庚酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,6-二甲基-3-苯基庚酸 has 1 hydrogen bond donor(s) and 2 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 3,6-二甲基-3-苯基庚酸?
The CAS number of 3,6-二甲基-3-苯基庚酸 is 101913-71-7.
What is the molecular formula of 3,6-二甲基-3-苯基庚酸?
The molecular formula of 3,6-二甲基-3-苯基庚酸 is C15H22O2.
What is the molecular weight of 3,6-二甲基-3-苯基庚酸?
The molecular weight of 3,6-二甲基-3-苯基庚酸 is 234.16 g/mol.
Where can I buy 3,6-二甲基-3-苯基庚酸?
You can request a quote for 3,6-二甲基-3-苯基庚酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,6-二甲基-3-苯基庚酸?
Yes, KEHONG BIO provides custom synthesis services for 3,6-二甲基-3-苯基庚酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.