1-Methylheptyl (S)-4-(4-(hexyloxy)benzoyl)benzoate
TL;DR: 1-Methylheptyl (S)-4-(4-(hexyloxy)benzoyl)benzoate (CAS 65242-72-0) is a chemical compound with molecular formula C28H38O4 and molecular weight 438.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S)-octan-2-yl] 4-(4-hexoxybenzoyl)benzoate
Also Known As: EINECS 265-653-8, 1-methylheptyl -4-[4- benzoyl]benzoate, 1-Methylheptyl (S)-4-(4-(hexyloxy)benzoyl)benzoate, Octan-2-yl 4-[4-(hexyloxy)benzoyl]benzoate, [(2S)-octan-2-yl] 4-(4-hexoxybenzoyl)benzoate
| Molecular Formula | C28H38O4 |
|---|---|
| Molecular Weight | 438.28 g/mol |
| LogP | 7.3924 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 15 |
| Exact Mass | 438.277 |
| Heavy Atoms | 32 |
| Complexity | 808.33093 |
Chemical Identifiers
| CAS Number | 65242-72-0 |
|---|---|
| SMILES | CCCCCC[C@H](C)OC(=O)C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)OCCCCCC |
Product Overview
1-Methylheptyl (S)-4-(4-(hexyloxy)benzoyl)benzoate (CAS 65242-72-0), with molecular formula C28H38O4 and molecular weight 438.28 g/mol. IUPAC: [(2S)-octan-2-yl] 4-(4-hexoxybenzoyl)benzoate.
Chemical Property Profile of 1-Methylheptyl (S)-4-(4-(hexyloxy)benzoyl)benzoate
Property Insights of 1-Methylheptyl (S)-4-(4-(hexyloxy)benzoyl)benzoate
The XLogP value of 7.3924 indicates that 1-Methylheptyl (S)-4-(4-(hexyloxy)benzoyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 1-Methylheptyl (S)-4-(4-(hexyloxy)benzoyl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methylheptyl (S)-4-(4-(hexyloxy)benzoyl)benzoate has 0 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 1-Methylheptyl (S)-4-(4-(hexyloxy)benzoyl)benzoate?
The CAS number of 1-Methylheptyl (S)-4-(4-(hexyloxy)benzoyl)benzoate is 65242-72-0.
What is the molecular formula of 1-Methylheptyl (S)-4-(4-(hexyloxy)benzoyl)benzoate?
The molecular formula of 1-Methylheptyl (S)-4-(4-(hexyloxy)benzoyl)benzoate is C28H38O4.
What is the molecular weight of 1-Methylheptyl (S)-4-(4-(hexyloxy)benzoyl)benzoate?
The molecular weight of 1-Methylheptyl (S)-4-(4-(hexyloxy)benzoyl)benzoate is 438.28 g/mol.
Where can I buy 1-Methylheptyl (S)-4-(4-(hexyloxy)benzoyl)benzoate?
You can request a quote for 1-Methylheptyl (S)-4-(4-(hexyloxy)benzoyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methylheptyl (S)-4-(4-(hexyloxy)benzoyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 1-Methylheptyl (S)-4-(4-(hexyloxy)benzoyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.