Carvyl acetate, (1S,5R)-
TL;DR: Carvyl acetate, (1S,5R)- (CAS 7053-79-4) is a chemical compound with molecular formula C12H18O2 and molecular weight 194.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] acetate
Also Known As: trans-carvyl acetate, (-)-Carvyl acetate, CARVYL ACETATE, Carvyl acetate, (1S,5R)-, (1S,5R)-carvyl acetate
| Molecular Formula | C12H18O2 |
|---|---|
| Molecular Weight | 194.13 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 194.13068 |
| Heavy Atoms | 14 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 7053-79-4 |
|---|---|
| SMILES | CC1=CC[C@H](C[C@@H]1OC(=O)C)C(=C)C |
| InChIKey | YTHRBOFHFYZBRJ-NEPJUHHUSA-N |
Product Overview
Carvyl acetate, (1S,5R)- (CAS 7053-79-4), with molecular formula C12H18O2 and molecular weight 194.13 g/mol. IUPAC: [(1S,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] acetate.
Chemical Property Profile of Carvyl acetate, (1S,5R)-
Property Insights of Carvyl acetate, (1S,5R)-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carvyl acetate, (1S,5R)-. With a topological polar surface area (TPSA) of 26.3 Ų, Carvyl acetate, (1S,5R)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carvyl acetate, (1S,5R)- has 0 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 Carvyl acetate, (1S,5R)-?
The CAS number of Carvyl acetate, (1S,5R)- is 7053-79-4.
What is the molecular formula of Carvyl acetate, (1S,5R)-?
The molecular formula of Carvyl acetate, (1S,5R)- is C12H18O2.
What is the molecular weight of Carvyl acetate, (1S,5R)-?
The molecular weight of Carvyl acetate, (1S,5R)- is 194.13 g/mol.
Where can I buy Carvyl acetate, (1S,5R)-?
You can request a quote for Carvyl acetate, (1S,5R)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carvyl acetate, (1S,5R)-?
Yes, KEHONG BIO provides custom synthesis services for Carvyl acetate, (1S,5R)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.