Heptanoic acid, 4-methyl-2-(1-methylethyl)-, (3-phenoxyphenyl)methyl ester
TL;DR: Heptanoic acid, 4-methyl-2-(1-methylethyl)-, (3-phenoxyphenyl)methyl ester (CAS 112474-05-2) is a chemical compound with molecular formula C24H32O3 and molecular weight 368.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-phenoxyphenyl)methyl 4-methyl-2-propan-2-ylheptanoate
Also Known As: Heptanoic acid, 4-methyl-2-(1-methylethyl)-, (3-phenoxyphenyl)methyl ester, (3-Phenoxyphenyl)methyl 4-methyl-2-(propan-2-yl)heptanoate, (3-phenoxyphenyl)methyl 4-methyl-2-propan-2-yl-heptanoate, (3-phenoxyphenyl)methyl 4-methyl-2-propan-2-ylheptanoate
| Molecular Formula | C24H32O3 |
|---|---|
| Molecular Weight | 368.24 g/mol |
| LogP | 7.2 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 368.23514 |
| Heavy Atoms | 27 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 112474-05-2 |
|---|---|
| SMILES | CCCC(C)CC(C(C)C)C(=O)OCC1=CC(=CC=C1)OC2=CC=CC=C2 |
| InChIKey | CVPVEJHGCKLGTC-UHFFFAOYSA-N |
Product Overview
Heptanoic acid, 4-methyl-2-(1-methylethyl)-, (3-phenoxyphenyl)methyl ester (CAS 112474-05-2), with molecular formula C24H32O3 and molecular weight 368.24 g/mol. IUPAC: (3-phenoxyphenyl)methyl 4-methyl-2-propan-2-ylheptanoate.
Chemical Property Profile of Heptanoic acid, 4-methyl-2-(1-methylethyl)-, (3-phenoxyphenyl)methyl ester
Property Insights of Heptanoic acid, 4-methyl-2-(1-methylethyl)-, (3-phenoxyphenyl)methyl ester
The XLogP value of 7.2 indicates that Heptanoic acid, 4-methyl-2-(1-methylethyl)-, (3-phenoxyphenyl)methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Heptanoic acid, 4-methyl-2-(1-methylethyl)-, (3-phenoxyphenyl)methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptanoic acid, 4-methyl-2-(1-methylethyl)-, (3-phenoxyphenyl)methyl ester 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 Heptanoic acid, 4-methyl-2-(1-methylethyl)-, (3-phenoxyphenyl)methyl ester?
The CAS number of Heptanoic acid, 4-methyl-2-(1-methylethyl)-, (3-phenoxyphenyl)methyl ester is 112474-05-2.
What is the molecular formula of Heptanoic acid, 4-methyl-2-(1-methylethyl)-, (3-phenoxyphenyl)methyl ester?
The molecular formula of Heptanoic acid, 4-methyl-2-(1-methylethyl)-, (3-phenoxyphenyl)methyl ester is C24H32O3.
What is the molecular weight of Heptanoic acid, 4-methyl-2-(1-methylethyl)-, (3-phenoxyphenyl)methyl ester?
The molecular weight of Heptanoic acid, 4-methyl-2-(1-methylethyl)-, (3-phenoxyphenyl)methyl ester is 368.24 g/mol.
Where can I buy Heptanoic acid, 4-methyl-2-(1-methylethyl)-, (3-phenoxyphenyl)methyl ester?
You can request a quote for Heptanoic acid, 4-methyl-2-(1-methylethyl)-, (3-phenoxyphenyl)methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptanoic acid, 4-methyl-2-(1-methylethyl)-, (3-phenoxyphenyl)methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Heptanoic acid, 4-methyl-2-(1-methylethyl)-, (3-phenoxyphenyl)methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.