Methyl 3a-hydroxy-3,8a-dimethyl-1-prop-1-en-2-yl-1,2,3,4,5,8-hexahydroazulene-2-carboxylate
TL;DR: Methyl 3a-hydroxy-3,8a-dimethyl-1-prop-1-en-2-yl-1,2,3,4,5,8-hexahydroazulene-2-carboxylate (CAS 7238-01-9) is a chemical compound with molecular formula C17H26O3 and molecular weight 278.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3a-hydroxy-3,8a-dimethyl-1-prop-1-en-2-yl-1,2,3,4,5,8-hexahydroazulene-2-carboxylate
Also Known As: Methyl 3a-hydroxy-3,8a-dimethyl-1-prop-1-en-2-yl-1,2,3,4,5,8-hexahydroazulene-2-carboxylate, Methyl 3a-hydroxy-3,8a-dimethyl-1-(prop-1-en-2-yl)-1,2,3,3a,4,5,8,8a-octahydroazulene-2-carboxylate
| Molecular Formula | C17H26O3 |
|---|---|
| Molecular Weight | 278.19 g/mol |
| LogP | 3.0951 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 278.1882 |
| Heavy Atoms | 20 |
| Complexity | 453.15146 |
Chemical Identifiers
| CAS Number | 7238-01-9 |
|---|---|
| SMILES | CC1C(C(C2(C1(CCC=CC2)O)C)C(=C)C)C(=O)OC |
Product Overview
Methyl 3a-hydroxy-3,8a-dimethyl-1-prop-1-en-2-yl-1,2,3,4,5,8-hexahydroazulene-2-carboxylate (CAS 7238-01-9), with molecular formula C17H26O3 and molecular weight 278.19 g/mol. IUPAC: methyl 3a-hydroxy-3,8a-dimethyl-1-prop-1-en-2-yl-1,2,3,4,5,8-hexahydroazulene-2-carboxylate.
Chemical Property Profile of Methyl 3a-hydroxy-3,8a-dimethyl-1-prop-1-en-2-yl-1,2,3,4,5,8-hexahydroazulene-2-carboxylate
Property Insights of Methyl 3a-hydroxy-3,8a-dimethyl-1-prop-1-en-2-yl-1,2,3,4,5,8-hexahydroazulene-2-carboxylate
The XLogP value of 3.0951 indicates that Methyl 3a-hydroxy-3,8a-dimethyl-1-prop-1-en-2-yl-1,2,3,4,5,8-hexahydroazulene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.53 Ų, Methyl 3a-hydroxy-3,8a-dimethyl-1-prop-1-en-2-yl-1,2,3,4,5,8-hexahydroazulene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3a-hydroxy-3,8a-dimethyl-1-prop-1-en-2-yl-1,2,3,4,5,8-hexahydroazulene-2-carboxylate has 1 hydrogen bond donor(s) and 3 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 Methyl 3a-hydroxy-3,8a-dimethyl-1-prop-1-en-2-yl-1,2,3,4,5,8-hexahydroazulene-2-carboxylate?
The CAS number of Methyl 3a-hydroxy-3,8a-dimethyl-1-prop-1-en-2-yl-1,2,3,4,5,8-hexahydroazulene-2-carboxylate is 7238-01-9.
What is the molecular formula of Methyl 3a-hydroxy-3,8a-dimethyl-1-prop-1-en-2-yl-1,2,3,4,5,8-hexahydroazulene-2-carboxylate?
The molecular formula of Methyl 3a-hydroxy-3,8a-dimethyl-1-prop-1-en-2-yl-1,2,3,4,5,8-hexahydroazulene-2-carboxylate is C17H26O3.
What is the molecular weight of Methyl 3a-hydroxy-3,8a-dimethyl-1-prop-1-en-2-yl-1,2,3,4,5,8-hexahydroazulene-2-carboxylate?
The molecular weight of Methyl 3a-hydroxy-3,8a-dimethyl-1-prop-1-en-2-yl-1,2,3,4,5,8-hexahydroazulene-2-carboxylate is 278.19 g/mol.
Where can I buy Methyl 3a-hydroxy-3,8a-dimethyl-1-prop-1-en-2-yl-1,2,3,4,5,8-hexahydroazulene-2-carboxylate?
You can request a quote for Methyl 3a-hydroxy-3,8a-dimethyl-1-prop-1-en-2-yl-1,2,3,4,5,8-hexahydroazulene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3a-hydroxy-3,8a-dimethyl-1-prop-1-en-2-yl-1,2,3,4,5,8-hexahydroazulene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3a-hydroxy-3,8a-dimethyl-1-prop-1-en-2-yl-1,2,3,4,5,8-hexahydroazulene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.