3-甲基八氢戊搭烯-1-甲酸
TL;DR: 3-甲基八氢戊搭烯-1-甲酸 (CAS 28645-03-6) is a chemical compound with molecular formula C10H16O2 and molecular weight 168.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-甲基八氢戊搭烯-1-甲酸
3-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene-1-carboxylic acid
Also Known As: 3-METHYLOCTAHYDROPENTALENE-1-CARBOXYLIC ACID, 3-methyl-octahydropentalene-1-carboxylic acid, 3-methyloctahydro-1-pentalenecarboxylic acid, 3-methyl-octahydro-pentalene-1-carboxylic acid, OCTAHYDRO-3-METHYL-1-PENTALENECARBOXYLIC ACID
| Molecular Formula | C10H16O2 |
|---|---|
| Molecular Weight | 168.12 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 168.11504 |
| Heavy Atoms | 12 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 28645-03-6 |
|---|---|
| SMILES | CC1CC(C2C1CCC2)C(=O)O |
| InChIKey | ALROYFVGHBWREY-UHFFFAOYSA-N |
Product Overview
3-甲基八氢戊搭烯-1-甲酸 (CAS 28645-03-6), with molecular formula C10H16O2 and molecular weight 168.12 g/mol. IUPAC: 3-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene-1-carboxylic acid.
Chemical Property Profile of 3-甲基八氢戊搭烯-1-甲酸
Property Insights of 3-甲基八氢戊搭烯-1-甲酸
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-甲基八氢戊搭烯-1-甲酸. With a topological polar surface area (TPSA) of 37.3 Ų, 3-甲基八氢戊搭烯-1-甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-甲基八氢戊搭烯-1-甲酸 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-甲基八氢戊搭烯-1-甲酸?
The CAS number of 3-甲基八氢戊搭烯-1-甲酸 is 28645-03-6.
What is the molecular formula of 3-甲基八氢戊搭烯-1-甲酸?
The molecular formula of 3-甲基八氢戊搭烯-1-甲酸 is C10H16O2.
What is the molecular weight of 3-甲基八氢戊搭烯-1-甲酸?
The molecular weight of 3-甲基八氢戊搭烯-1-甲酸 is 168.12 g/mol.
Where can I buy 3-甲基八氢戊搭烯-1-甲酸?
You can request a quote for 3-甲基八氢戊搭烯-1-甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-甲基八氢戊搭烯-1-甲酸?
Yes, KEHONG BIO provides custom synthesis services for 3-甲基八氢戊搭烯-1-甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.