7,7-二甲基-8-亚甲基八氢-1H-3a,6-甲撑薁-3-甲酸
TL;DR: 7,7-二甲基-8-亚甲基八氢-1H-3a,6-甲撑薁-3-甲酸 (CAS 165315-18-4) is a chemical compound with molecular formula C15H22O2 and molecular weight 234.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,7-二甲基-8-亚甲基八氢-1H-3a,6-甲撑薁-3-甲酸
7,7-dimethyl-6-methylidenetricyclo[6.2.1.01,5]undecane-2-carboxylic acid
Also Known As: Vetivenic acid, Khusenic acid, Zizanoic acid, (+)-Zizanoic acid, 7,7-dimethyl-8-methylideneoctahydro-1h-3a,6-methanoazulene-3-carboxylic acid
| Molecular Formula | C15H22O2 |
|---|---|
| Molecular Weight | 234.16 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 234.16199 |
| Heavy Atoms | 17 |
| Complexity | 396.0 |
Chemical Identifiers
| CAS Number | 165315-18-4 |
|---|---|
| SMILES | CC1(C2CCC3(C2)C(C1=C)CCC3C(=O)O)C |
| InChIKey | IJGMVUXEZUEDJR-UHFFFAOYSA-N |
Product Overview
7,7-二甲基-8-亚甲基八氢-1H-3a,6-甲撑薁-3-甲酸 (CAS 165315-18-4), with molecular formula C15H22O2 and molecular weight 234.16 g/mol. IUPAC: 7,7-dimethyl-6-methylidenetricyclo[6.2.1.01,5]undecane-2-carboxylic acid.
Chemical Property Profile of 7,7-二甲基-8-亚甲基八氢-1H-3a,6-甲撑薁-3-甲酸
Property Insights of 7,7-二甲基-8-亚甲基八氢-1H-3a,6-甲撑薁-3-甲酸
The XLogP value of 3.6 indicates that 7,7-二甲基-8-亚甲基八氢-1H-3a,6-甲撑薁-3-甲酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 7,7-二甲基-8-亚甲基八氢-1H-3a,6-甲撑薁-3-甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7,7-二甲基-8-亚甲基八氢-1H-3a,6-甲撑薁-3-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 7,7-二甲基-8-亚甲基八氢-1H-3a,6-甲撑薁-3-甲酸?
The CAS number of 7,7-二甲基-8-亚甲基八氢-1H-3a,6-甲撑薁-3-甲酸 is 165315-18-4.
What is the molecular formula of 7,7-二甲基-8-亚甲基八氢-1H-3a,6-甲撑薁-3-甲酸?
The molecular formula of 7,7-二甲基-8-亚甲基八氢-1H-3a,6-甲撑薁-3-甲酸 is C15H22O2.
What is the molecular weight of 7,7-二甲基-8-亚甲基八氢-1H-3a,6-甲撑薁-3-甲酸?
The molecular weight of 7,7-二甲基-8-亚甲基八氢-1H-3a,6-甲撑薁-3-甲酸 is 234.16 g/mol.
Where can I buy 7,7-二甲基-8-亚甲基八氢-1H-3a,6-甲撑薁-3-甲酸?
You can request a quote for 7,7-二甲基-8-亚甲基八氢-1H-3a,6-甲撑薁-3-甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7,7-二甲基-8-亚甲基八氢-1H-3a,6-甲撑薁-3-甲酸?
Yes, KEHONG BIO provides custom synthesis services for 7,7-二甲基-8-亚甲基八氢-1H-3a,6-甲撑薁-3-甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.