5'-Methyl-1'H-androst-5-eno(16,17-c)pyrazol-3-beta-ol
TL;DR: 5'-Methyl-1'H-androst-5-eno(16,17-c)pyrazol-3-beta-ol (CAS 100104-80-1) is a chemical compound with molecular formula C21H30N2O and molecular weight 326.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,9,13-trimethyl-5,6-diazapentacyclo[10.8.0.02,9.04,8.013,18]icosa-4,7,18-trien-16-ol
Also Known As: 5'-Methyl-1'H-androst-5-eno(16,17-c)pyrazol-3-beta-ol, 1'H-Androst-5-eno(16,17-c)pyrazol-3-beta-ol, 5'-methyl-, 3-beta-Hydroxy-androst-5-ene-(16,17-c)-5'-methylpyrazole, 4a,6a,7-Trimethyl-1,2,3,4,4a,4b,5,6,6a,8,10,10a,10b,11-tetradecahydronaphtho[2',1':4,5]indeno[2,1-c]pyrazol-2-ol, 4a,6a,7-trimethyl-1,2,3,4,4a,4b,5,6,6a,9,10,10a,10b,11-tetradecahydronaphtho[2',1':4,5]indeno[2,1-c]pyrazol-2-ol
| Molecular Formula | C21H30N2O |
|---|---|
| Molecular Weight | 326.24 g/mol |
| LogP | 4.05552 |
| Topological Polar Surface Area | 48.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 326.2358 |
| Heavy Atoms | 24 |
| Complexity | 719.421 |
Chemical Identifiers
| CAS Number | 100104-80-1 |
|---|---|
| SMILES | CC1=C2C(=NN1)CC3C2(CCC4C3CC=C5C4(CCC(C5)O)C)C |
Product Overview
5'-Methyl-1'H-androst-5-eno(16,17-c)pyrazol-3-beta-ol (CAS 100104-80-1), with molecular formula C21H30N2O and molecular weight 326.24 g/mol. IUPAC: 7,9,13-trimethyl-5,6-diazapentacyclo[10.8.0.02,9.04,8.013,18]icosa-4,7,18-trien-16-ol.
Chemical Property Profile of 5'-Methyl-1'H-androst-5-eno(16,17-c)pyrazol-3-beta-ol
Property Insights of 5'-Methyl-1'H-androst-5-eno(16,17-c)pyrazol-3-beta-ol
The XLogP value of 4.05552 indicates that 5'-Methyl-1'H-androst-5-eno(16,17-c)pyrazol-3-beta-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.91 Ų, 5'-Methyl-1'H-androst-5-eno(16,17-c)pyrazol-3-beta-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5'-Methyl-1'H-androst-5-eno(16,17-c)pyrazol-3-beta-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 5'-Methyl-1'H-androst-5-eno(16,17-c)pyrazol-3-beta-ol?
The CAS number of 5'-Methyl-1'H-androst-5-eno(16,17-c)pyrazol-3-beta-ol is 100104-80-1.
What is the molecular formula of 5'-Methyl-1'H-androst-5-eno(16,17-c)pyrazol-3-beta-ol?
The molecular formula of 5'-Methyl-1'H-androst-5-eno(16,17-c)pyrazol-3-beta-ol is C21H30N2O.
What is the molecular weight of 5'-Methyl-1'H-androst-5-eno(16,17-c)pyrazol-3-beta-ol?
The molecular weight of 5'-Methyl-1'H-androst-5-eno(16,17-c)pyrazol-3-beta-ol is 326.24 g/mol.
Where can I buy 5'-Methyl-1'H-androst-5-eno(16,17-c)pyrazol-3-beta-ol?
You can request a quote for 5'-Methyl-1'H-androst-5-eno(16,17-c)pyrazol-3-beta-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5'-Methyl-1'H-androst-5-eno(16,17-c)pyrazol-3-beta-ol?
Yes, KEHONG BIO provides custom synthesis services for 5'-Methyl-1'H-androst-5-eno(16,17-c)pyrazol-3-beta-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.