(2R,4aS,4bS,10bS,12aR)-1,2,3,4,4a,4b,5,6,10b,11,12,12a-Dodecahydro-4a,7,8-trimethyl-2-chrysenol
TL;DR: (2R,4aS,4bS,10bS,12aR)-1,2,3,4,4a,4b,5,6,10b,11,12,12a-Dodecahydro-4a,7,8-trimethyl-2-chrysenol (CAS 2601-22-1) is a chemical compound with molecular formula C21H30O and molecular weight 298.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4a,7,8-trimethyl-2,3,4,4b,5,6,10b,11,12,12a-decahydro-1H-chrysen-2-ol
Also Known As: (2R,4aS,4bS,10bS,12aR)-1,2,3,4,4a,4b,5,6,10b,11,12,12a-Dodecahydro-4a,7,8-trimethyl-2-chrysenol, 4a,7,8-Trimethyl-1,2,3,4,4a,4b,5,6,10b,11,12,12a-dodecahydrochrysen-2-ol, 4a,7,8-trimethyl-2,3,4,4b,5,6,10b,11,12,12a-decahydro-1H-chrysen-2-ol
| Molecular Formula | C21H30O |
|---|---|
| Molecular Weight | 298.23 g/mol |
| LogP | 4.91054 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 298.22968 |
| Heavy Atoms | 22 |
| Complexity | 589.81506 |
Chemical Identifiers
| CAS Number | 2601-22-1 |
|---|---|
| SMILES | CC1=C(C2=C(C=C1)C3CCC4CC(CCC4(C3CC2)C)O)C |
Product Overview
(2R,4aS,4bS,10bS,12aR)-1,2,3,4,4a,4b,5,6,10b,11,12,12a-Dodecahydro-4a,7,8-trimethyl-2-chrysenol (CAS 2601-22-1), with molecular formula C21H30O and molecular weight 298.23 g/mol. IUPAC: 4a,7,8-trimethyl-2,3,4,4b,5,6,10b,11,12,12a-decahydro-1H-chrysen-2-ol.
Chemical Property Profile of (2R,4aS,4bS,10bS,12aR)-1,2,3,4,4a,4b,5,6,10b,11,12,12a-Dodecahydro-4a,7,8-trimethyl-2-chrysenol
Property Insights of (2R,4aS,4bS,10bS,12aR)-1,2,3,4,4a,4b,5,6,10b,11,12,12a-Dodecahydro-4a,7,8-trimethyl-2-chrysenol
The XLogP value of 4.91054 indicates that (2R,4aS,4bS,10bS,12aR)-1,2,3,4,4a,4b,5,6,10b,11,12,12a-Dodecahydro-4a,7,8-trimethyl-2-chrysenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.23 Ų, (2R,4aS,4bS,10bS,12aR)-1,2,3,4,4a,4b,5,6,10b,11,12,12a-Dodecahydro-4a,7,8-trimethyl-2-chrysenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2R,4aS,4bS,10bS,12aR)-1,2,3,4,4a,4b,5,6,10b,11,12,12a-Dodecahydro-4a,7,8-trimethyl-2-chrysenol 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 (2R,4aS,4bS,10bS,12aR)-1,2,3,4,4a,4b,5,6,10b,11,12,12a-Dodecahydro-4a,7,8-trimethyl-2-chrysenol?
The CAS number of (2R,4aS,4bS,10bS,12aR)-1,2,3,4,4a,4b,5,6,10b,11,12,12a-Dodecahydro-4a,7,8-trimethyl-2-chrysenol is 2601-22-1.
What is the molecular formula of (2R,4aS,4bS,10bS,12aR)-1,2,3,4,4a,4b,5,6,10b,11,12,12a-Dodecahydro-4a,7,8-trimethyl-2-chrysenol?
The molecular formula of (2R,4aS,4bS,10bS,12aR)-1,2,3,4,4a,4b,5,6,10b,11,12,12a-Dodecahydro-4a,7,8-trimethyl-2-chrysenol is C21H30O.
What is the molecular weight of (2R,4aS,4bS,10bS,12aR)-1,2,3,4,4a,4b,5,6,10b,11,12,12a-Dodecahydro-4a,7,8-trimethyl-2-chrysenol?
The molecular weight of (2R,4aS,4bS,10bS,12aR)-1,2,3,4,4a,4b,5,6,10b,11,12,12a-Dodecahydro-4a,7,8-trimethyl-2-chrysenol is 298.23 g/mol.
Where can I buy (2R,4aS,4bS,10bS,12aR)-1,2,3,4,4a,4b,5,6,10b,11,12,12a-Dodecahydro-4a,7,8-trimethyl-2-chrysenol?
You can request a quote for (2R,4aS,4bS,10bS,12aR)-1,2,3,4,4a,4b,5,6,10b,11,12,12a-Dodecahydro-4a,7,8-trimethyl-2-chrysenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2R,4aS,4bS,10bS,12aR)-1,2,3,4,4a,4b,5,6,10b,11,12,12a-Dodecahydro-4a,7,8-trimethyl-2-chrysenol?
Yes, KEHONG BIO provides custom synthesis services for (2R,4aS,4bS,10bS,12aR)-1,2,3,4,4a,4b,5,6,10b,11,12,12a-Dodecahydro-4a,7,8-trimethyl-2-chrysenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.