Alismol
TL;DR: Alismol (CAS 87827-55-2) is a chemical compound with molecular formula C15H24O and molecular weight 220.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,3aS,8aS)-1-methyl-4-methylidene-7-propan-2-yl-2,3,3a,5,6,8a-hexahydroazulen-1-ol
Also Known As: Alismol, SID:172125874, (1R,3aS,8aS)-1-methyl-4-methylidene-7-propan-2-yl-2,3,3a,5,6,8a-hexahydroazulen-1-ol, (1R,3aS,8aS)-1-methyl-4-methylene-7-propan-2-yl-2,3,3a,5,6,8ahexahydroazulen-1-ol, (1S,3aR,8aS)-1-methyl-4-methylidene-7-propan-2-yl-2,3,3a,5,6,8a-hexahydroazulen-1-ol
| Molecular Formula | C15H24O |
|---|---|
| Molecular Weight | 220.18 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 220.18271 |
| Heavy Atoms | 16 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 87827-55-2 |
|---|---|
| SMILES | CC(C)C1=C[C@H]2[C@H](CC[C@@]2(C)O)C(=C)CC1 |
| InChIKey | BUPJOLXWQXEJSQ-QLFBSQMISA-N |
Product Overview
Alismol (CAS 87827-55-2), with molecular formula C15H24O and molecular weight 220.18 g/mol. IUPAC: (1R,3aS,8aS)-1-methyl-4-methylidene-7-propan-2-yl-2,3,3a,5,6,8a-hexahydroazulen-1-ol.
Chemical Property Profile of Alismol
Property Insights of Alismol
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Alismol. With a topological polar surface area (TPSA) of 20.2 Ų, Alismol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Alismol has 1 hydrogen bond donor(s) and 1 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 Alismol?
The CAS number of Alismol is 87827-55-2.
What is the molecular formula of Alismol?
The molecular formula of Alismol is C15H24O.
What is the molecular weight of Alismol?
The molecular weight of Alismol is 220.18 g/mol.
Where can I buy Alismol?
You can request a quote for Alismol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alismol?
Yes, KEHONG BIO provides custom synthesis services for Alismol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.