3-苄基-7-甲基辛酸
TL;DR: 3-苄基-7-甲基辛酸 (CAS 93156-64-0) is a chemical compound with molecular formula C16H24O2 and molecular weight 248.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-苄基-7-甲基辛酸
3-benzyl-7-methyloctanoic acid
Also Known As: 3-Benzyl-7-methyloctanoic acid, OCTANOIC ACID, 3-BENZYL-7-METHYL-, 3-BENZYL-7-METHYL-OCTANOIC ACID, OCTANOIC ACID,3-BENZYL-7-METHYL, 4-09-00-01973 (Beilstein Handbook Reference)
| Molecular Formula | C16H24O2 |
|---|---|
| Molecular Weight | 248.18 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 248.17763 |
| Heavy Atoms | 18 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 93156-64-0 |
|---|---|
| SMILES | CC(C)CCCC(CC1=CC=CC=C1)CC(=O)O |
| InChIKey | FJFYUNDWOMHNIM-UHFFFAOYSA-N |
Product Overview
3-苄基-7-甲基辛酸 (CAS 93156-64-0), with molecular formula C16H24O2 and molecular weight 248.18 g/mol. IUPAC: 3-benzyl-7-methyloctanoic acid.
Chemical Property Profile of 3-苄基-7-甲基辛酸
Property Insights of 3-苄基-7-甲基辛酸
The XLogP value of 4.9 indicates that 3-苄基-7-甲基辛酸 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-苄基-7-甲基辛酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-苄基-7-甲基辛酸 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-苄基-7-甲基辛酸?
The CAS number of 3-苄基-7-甲基辛酸 is 93156-64-0.
What is the molecular formula of 3-苄基-7-甲基辛酸?
The molecular formula of 3-苄基-7-甲基辛酸 is C16H24O2.
What is the molecular weight of 3-苄基-7-甲基辛酸?
The molecular weight of 3-苄基-7-甲基辛酸 is 248.18 g/mol.
Where can I buy 3-苄基-7-甲基辛酸?
You can request a quote for 3-苄基-7-甲基辛酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-苄基-7-甲基辛酸?
Yes, KEHONG BIO provides custom synthesis services for 3-苄基-7-甲基辛酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.