VERATROSINE
TL;DR: VERATROSINE (CAS 50488-14-7) is a chemical compound with molecular formula C33H49NO7 and molecular weight 571.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(6aR,11aS)-9-[(1S)-1-[(2S)-3-hydroxy-5-methylpiperidin-2-yl]ethyl]-10,11b-dimethyl-1,2,3,4,6,6a,11,11a-octahydrobenzo[a]fluoren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: VERATROSINE, Veratramine 3-glycoside, Veratramine, 3-glucoside, Veratramine-beta-D-glucoside, KST-1A5126
| Molecular Formula | C33H49NO7 |
|---|---|
| Molecular Weight | 571.35 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 571.3509 |
| Heavy Atoms | 41 |
| Complexity | 962.0 |
Chemical Identifiers
| CAS Number | 50488-14-7 |
|---|---|
| SMILES | CC1CC([C@@H](NC1)[C@@H](C)C2=C(C3=C(C=C2)[C@@H]4CC=C5CC(CCC5([C@H]4C3)C)OC6C(C(C(C(O6)CO)O)O)O)C)O |
| InChIKey | WXQHVBNTINGJJR-NHJAXKLSSA-N |
Product Overview
VERATROSINE (CAS 50488-14-7), with molecular formula C33H49NO7 and molecular weight 571.35 g/mol. IUPAC: 2-[[(6aR,11aS)-9-[(1S)-1-[(2S)-3-hydroxy-5-methylpiperidin-2-yl]ethyl]-10,11b-dimethyl-1,2,3,4,6,6a,11,11a-octahydrobenzo[a]fluoren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol.
Chemical Property Profile of VERATROSINE
Property Insights of VERATROSINE
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VERATROSINE. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for VERATROSINE. Following Lipinski's Rule of Five, VERATROSINE has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of VERATROSINE?
The CAS number of VERATROSINE is 50488-14-7.
What is the molecular formula of VERATROSINE?
The molecular formula of VERATROSINE is C33H49NO7.
What is the molecular weight of VERATROSINE?
The molecular weight of VERATROSINE is 571.35 g/mol.
Where can I buy VERATROSINE?
You can request a quote for VERATROSINE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VERATROSINE?
Yes, KEHONG BIO provides custom synthesis services for VERATROSINE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.