1-(Hydroxymethyl)-1,4b-dimethyl-7-(propan-2-yl)dodecahydrophenanthren-4a(2h)-ol
TL;DR: 1-(Hydroxymethyl)-1,4b-dimethyl-7-(propan-2-yl)dodecahydrophenanthren-4a(2h)-ol (CAS 58499-83-5) is a chemical compound with molecular formula C20H36O2 and molecular weight 308.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(hydroxymethyl)-1,4b-dimethyl-7-propan-2-yl-3,4,5,6,7,8,8a,9,10,10a-decahydro-2H-phenanthren-4a-ol
Also Known As: KST-1B5913, 1-(hydroxymethyl)-1,4b-dimethyl-7-(propan-2-yl)dodecahydrophenanthren-4a(2h)-ol, 1-(hydroxymethyl)-1,4b-dimethyl-7-propan-2-yl-3,4,5,6,7,8,8a, 1-(hydroxymethyl)-1,4b-dimethyl-7-propan-2-yl-3,4,5,6,7,8,8a,9,10,10a-decahydro-2H-phenanthren-4a-ol, TETRADECAHYDRO-4A.ALPHA.-HYDROXY-7-ISOPROPYL-1.BETA.,4B.BETA.-DIMETHYL-1-PHENANTHRENEMETHANOL
| Molecular Formula | C20H36O2 |
|---|---|
| Molecular Weight | 308.27 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 308.27155 |
| Heavy Atoms | 22 |
| Complexity | 420.0 |
Chemical Identifiers
| CAS Number | 58499-83-5 |
|---|---|
| SMILES | CC(C)C1CCC2(C(C1)CCC3C2(CCCC3(C)CO)O)C |
| InChIKey | ZWDCUZKMRDIFAX-UHFFFAOYSA-N |
Product Overview
1-(Hydroxymethyl)-1,4b-dimethyl-7-(propan-2-yl)dodecahydrophenanthren-4a(2h)-ol (CAS 58499-83-5), with molecular formula C20H36O2 and molecular weight 308.27 g/mol. IUPAC: 1-(hydroxymethyl)-1,4b-dimethyl-7-propan-2-yl-3,4,5,6,7,8,8a,9,10,10a-decahydro-2H-phenanthren-4a-ol.
Chemical Property Profile of 1-(Hydroxymethyl)-1,4b-dimethyl-7-(propan-2-yl)dodecahydrophenanthren-4a(2h)-ol
Property Insights of 1-(Hydroxymethyl)-1,4b-dimethyl-7-(propan-2-yl)dodecahydrophenanthren-4a(2h)-ol
The XLogP value of 4.9 indicates that 1-(Hydroxymethyl)-1,4b-dimethyl-7-(propan-2-yl)dodecahydrophenanthren-4a(2h)-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 1-(Hydroxymethyl)-1,4b-dimethyl-7-(propan-2-yl)dodecahydrophenanthren-4a(2h)-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Hydroxymethyl)-1,4b-dimethyl-7-(propan-2-yl)dodecahydrophenanthren-4a(2h)-ol 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 1-(Hydroxymethyl)-1,4b-dimethyl-7-(propan-2-yl)dodecahydrophenanthren-4a(2h)-ol?
The CAS number of 1-(Hydroxymethyl)-1,4b-dimethyl-7-(propan-2-yl)dodecahydrophenanthren-4a(2h)-ol is 58499-83-5.
What is the molecular formula of 1-(Hydroxymethyl)-1,4b-dimethyl-7-(propan-2-yl)dodecahydrophenanthren-4a(2h)-ol?
The molecular formula of 1-(Hydroxymethyl)-1,4b-dimethyl-7-(propan-2-yl)dodecahydrophenanthren-4a(2h)-ol is C20H36O2.
What is the molecular weight of 1-(Hydroxymethyl)-1,4b-dimethyl-7-(propan-2-yl)dodecahydrophenanthren-4a(2h)-ol?
The molecular weight of 1-(Hydroxymethyl)-1,4b-dimethyl-7-(propan-2-yl)dodecahydrophenanthren-4a(2h)-ol is 308.27 g/mol.
Where can I buy 1-(Hydroxymethyl)-1,4b-dimethyl-7-(propan-2-yl)dodecahydrophenanthren-4a(2h)-ol?
You can request a quote for 1-(Hydroxymethyl)-1,4b-dimethyl-7-(propan-2-yl)dodecahydrophenanthren-4a(2h)-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Hydroxymethyl)-1,4b-dimethyl-7-(propan-2-yl)dodecahydrophenanthren-4a(2h)-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-(Hydroxymethyl)-1,4b-dimethyl-7-(propan-2-yl)dodecahydrophenanthren-4a(2h)-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.