Widdrol
TL;DR: Widdrol (CAS 6892-80-4) is a chemical compound with molecular formula C15H26O and molecular weight 222.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7S,9aS)-4,4,7,9a-tetramethyl-1,2,3,6,8,9-hexahydrobenzo[7]annulen-7-ol
Also Known As: Widdrol, Methyl 4-heptylbenzoate, (7S,9aS)-4,4,7,9a-tetramethyl-1,2,3,6,8,9-hexahydrobenzo[7]annulen-7-ol, 1H-Benzocyclohepten-7-ol, 2,3,4,4a,5,6,7,8-octahydro-1,1,4a,7-tetramethyl-, cis-, (4aS,7S)-1,1,4a,7-tetramethyl-2,3,4,4a,5,6,7,8-octahydro-1H-benzo[7]annulen-7-ol
| Molecular Formula | C15H26O |
|---|---|
| Molecular Weight | 222.20 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 222.19836 |
| Heavy Atoms | 16 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 6892-80-4 |
|---|---|
| SMILES | C[C@@]12CCCC(C1=CC[C@@](CC2)(C)O)(C)C |
| InChIKey | BXGVVQADPFXGHD-LSDHHAIUSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Widdrol (CAS 6892-80-4), with molecular formula C15H26O and molecular weight 222.20 g/mol. IUPAC: (7S,9aS)-4,4,7,9a-tetramethyl-1,2,3,6,8,9-hexahydrobenzo[7]annulen-7-ol.
Chemical Property Profile of Widdrol
Property Insights of Widdrol
The XLogP value of 4.1 indicates that Widdrol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, Widdrol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Widdrol 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 Widdrol?
The CAS number of Widdrol is 6892-80-4.
What is the molecular formula of Widdrol?
The molecular formula of Widdrol is C15H26O.
What is the molecular weight of Widdrol?
The molecular weight of Widdrol is 222.20 g/mol.
Where can I buy Widdrol?
You can request a quote for Widdrol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Widdrol?
Yes, KEHONG BIO provides custom synthesis services for Widdrol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.