(2E)-3-甲基己-2-烯酸
TL;DR: (2E)-3-甲基己-2-烯酸 (CAS 18951-40-1) is a chemical compound with molecular formula C7H12O2 and molecular weight 128.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-3-甲基己-2-烯酸
(E)-3-methylhex-2-enoic acid
Also Known As: 3-Methyl-2-hexenoic acid, 3-methylhex-2-enoic acid, (2E)-3-methylhex-2-enoic acid, (E)-3-methylhex-2-enoic acid, trans-3-Methyl-2-hexenoic acid
| Molecular Formula | C7H12O2 |
|---|---|
| Molecular Weight | 128.08 g/mol |
| LogP | 1.8174 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 128.08372 |
| Heavy Atoms | 9 |
| Complexity | 124.87784 |
Chemical Identifiers
| CAS Number | 18951-40-1 |
|---|---|
| SMILES | CCC/C(=C/C(=O)O)/C |
Product Overview
(2E)-3-甲基己-2-烯酸 (CAS 18951-40-1), with molecular formula C7H12O2 and molecular weight 128.08 g/mol. IUPAC: (E)-3-methylhex-2-enoic acid.
Chemical Property Profile of (2E)-3-甲基己-2-烯酸
Property Insights of (2E)-3-甲基己-2-烯酸
The XLogP value of 1.8174 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-3-甲基己-2-烯酸. With a topological polar surface area (TPSA) of 37.3 Ų, (2E)-3-甲基己-2-烯酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-3-甲基己-2-烯酸 has 1 hydrogen bond donor(s) and 1 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 (2E)-3-甲基己-2-烯酸?
The CAS number of (2E)-3-甲基己-2-烯酸 is 18951-40-1.
What is the molecular formula of (2E)-3-甲基己-2-烯酸?
The molecular formula of (2E)-3-甲基己-2-烯酸 is C7H12O2.
What is the molecular weight of (2E)-3-甲基己-2-烯酸?
The molecular weight of (2E)-3-甲基己-2-烯酸 is 128.08 g/mol.
Where can I buy (2E)-3-甲基己-2-烯酸?
You can request a quote for (2E)-3-甲基己-2-烯酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-3-甲基己-2-烯酸?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-甲基己-2-烯酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.