Holafebrine
TL;DR: Holafebrine (CAS 5035-10-9) is a chemical compound with molecular formula C21H35NO and molecular weight 317.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-aminoethyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Also Known As: Holafebrine, 20-Aminopregn-5-en-3-ol #, (20S)-20-Aminopregn-5-en-3beta-ol, Pregn-5-en-3.beta.-ol, 20.alpha.-amino-, Pregn-5-en-3beta-ol, 20alpha-amino-
| Molecular Formula | C21H35NO |
|---|---|
| Molecular Weight | 317.27 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 46.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 317.27185 |
| Heavy Atoms | 23 |
| Complexity | 514.0 |
Chemical Identifiers
| CAS Number | 5035-10-9 |
|---|---|
| SMILES | C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)N |
| InChIKey | FLEBIYNUTZNISZ-YZXCLFAISA-N |
Product Overview
Holafebrine (CAS 5035-10-9), with molecular formula C21H35NO and molecular weight 317.27 g/mol. IUPAC: (3S,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-aminoethyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol.
Chemical Property Profile of Holafebrine
Property Insights of Holafebrine
The XLogP value of 4.3 indicates that Holafebrine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.3 Ų, Holafebrine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Holafebrine 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 Holafebrine?
The CAS number of Holafebrine is 5035-10-9.
What is the molecular formula of Holafebrine?
The molecular formula of Holafebrine is C21H35NO.
What is the molecular weight of Holafebrine?
The molecular weight of Holafebrine is 317.27 g/mol.
Where can I buy Holafebrine?
You can request a quote for Holafebrine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Holafebrine?
Yes, KEHONG BIO provides custom synthesis services for Holafebrine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.