Guaiyl butyrate
TL;DR: Guaiyl butyrate (CAS 73003-91-5) is a chemical compound with molecular formula C19H32O2 and molecular weight 292.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3S,5R,8S)-3,8-dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl]propan-2-yl butanoate
Also Known As: Guaiyl butyrate, Guaiol butyrate, 2-[(3S,5R,8S)-3,8-dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl]propan-2-yl butanoate, Butanoic acid, 1-methyl-1-((3S,5R,8S)-1,2,3,4,5,6,7,8-octahydro-3,8-dimethyl-5-azulenyl)ethyl ester, Butanoic acid, 1-methyl-1-[(3S,5R,8S)-1,2,3,4,5,6,7,8-octahydro-3,8-dimethyl-5-azulenyl]ethyl ester
| Molecular Formula | C19H32O2 |
|---|---|
| Molecular Weight | 292.24 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 292.24023 |
| Heavy Atoms | 21 |
| Complexity | 419.0 |
Chemical Identifiers
| CAS Number | 73003-91-5 |
|---|---|
| SMILES | CCCC(=O)OC(C)(C)[C@@H]1CC[C@@H](C2=C(C1)[C@H](CC2)C)C |
| InChIKey | FZRQHSNXHSRRMX-SOUVJXGZSA-N |
Product Overview
Guaiyl butyrate (CAS 73003-91-5), with molecular formula C19H32O2 and molecular weight 292.24 g/mol. IUPAC: 2-[(3S,5R,8S)-3,8-dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl]propan-2-yl butanoate.
Chemical Property Profile of Guaiyl butyrate
Property Insights of Guaiyl butyrate
The XLogP value of 4.5 indicates that Guaiyl butyrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Guaiyl butyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Guaiyl butyrate 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 Guaiyl butyrate?
The CAS number of Guaiyl butyrate is 73003-91-5.
What is the molecular formula of Guaiyl butyrate?
The molecular formula of Guaiyl butyrate is C19H32O2.
What is the molecular weight of Guaiyl butyrate?
The molecular weight of Guaiyl butyrate is 292.24 g/mol.
Where can I buy Guaiyl butyrate?
You can request a quote for Guaiyl butyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Guaiyl butyrate?
Yes, KEHONG BIO provides custom synthesis services for Guaiyl butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.