Centarol
TL;DR: Centarol (CAS 57308-24-4) is a chemical compound with molecular formula C15H26O2 and molecular weight 238.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,4aR,5S,9aS)-2,5,9,9-tetramethyl-4,4a,6,7,8,9a-hexahydro-1H-benzo[7]annulene-1,5-diol
Also Known As: Centarol, (1R,4aR,5S,9aS)-2,5,9,9-tetramethyl-4,4a,6,7,8,9a-hexahydro-1H-benzo[7]annulene-1,5-diol, (1R,4aR,5S,9aS)-2,5,9,9-tetramethyl-4,4a,5,6,7,8,9,9a-octahydro-1H-benzo[7]annulene-1,5-diol, (1R,4aR,5S,9aS)-2,5,9,9-tetramethyl-4,4a,6,7,8,9a-hexahydro-1H-benzo(7)annulene-1,5-diol, 4,4aalpha,5,6,7,8,9,9aalpha-Octahydro-2,5,9,9-tetramethyl-1H-benzocycloheptene-1beta,5beta-diol
| Molecular Formula | C15H26O2 |
|---|---|
| Molecular Weight | 238.19 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 238.19328 |
| Heavy Atoms | 17 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 57308-24-4 |
|---|---|
| SMILES | CC1=CC[C@@H]2[C@H]([C@H]1O)C(CCC[C@]2(C)O)(C)C |
| InChIKey | NUXLUAXOQWMFEE-CXTNEJHOSA-N |
Product Overview
Centarol (CAS 57308-24-4), with molecular formula C15H26O2 and molecular weight 238.19 g/mol. IUPAC: (1R,4aR,5S,9aS)-2,5,9,9-tetramethyl-4,4a,6,7,8,9a-hexahydro-1H-benzo[7]annulene-1,5-diol.
Chemical Property Profile of Centarol
Property Insights of Centarol
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Centarol. With a topological polar surface area (TPSA) of 40.5 Ų, Centarol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Centarol has 2 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 Centarol?
The CAS number of Centarol is 57308-24-4.
What is the molecular formula of Centarol?
The molecular formula of Centarol is C15H26O2.
What is the molecular weight of Centarol?
The molecular weight of Centarol is 238.19 g/mol.
Where can I buy Centarol?
You can request a quote for Centarol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Centarol?
Yes, KEHONG BIO provides custom synthesis services for Centarol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.