Cyproheptadine glucuronide
TL;DR: Cyproheptadine glucuronide (CAS 7402-55-3) is a chemical compound with molecular formula C27H30NO6+ and molecular weight 464.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[1-methyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-ium-1-yl]oxane-2-carboxylic acid
Also Known As: Cyproheptadine glucuronide, 4-(5h-dibenzo[a,d][7]annulen-5-ylidene)-1-(, A-d-glucopyranuronosyl)-1-methylpiperidinium, Piperidinium, 4-(5H-dibenzo(a,d)cyclohepten-5-ylidene)-1-beta-D-glucopyranuronosyl-1-methyl-, (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[1-methyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-ium-1-yl]oxane-2-carboxylic acid
| Molecular Formula | C27H30NO6+ |
|---|---|
| Molecular Weight | 464.21 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 464.2073 |
| Heavy Atoms | 34 |
| Complexity | 801.0 |
Chemical Identifiers
| CAS Number | 7402-55-3 |
|---|---|
| SMILES | C[N+]1(CCC(=C2C3=CC=CC=C3C=CC4=CC=CC=C42)CC1)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O |
| InChIKey | CQLKKFODLDAYGC-HEXNFIEUSA-O |
Product Overview
Cyproheptadine glucuronide (CAS 7402-55-3), with molecular formula C27H30NO6+ and molecular weight 464.21 g/mol. IUPAC: (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[1-methyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-ium-1-yl]oxane-2-carboxylic acid.
Chemical Property Profile of Cyproheptadine glucuronide
Property Insights of Cyproheptadine glucuronide
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyproheptadine glucuronide. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Cyproheptadine glucuronide. Following Lipinski's Rule of Five, Cyproheptadine glucuronide has 4 hydrogen bond donor(s) and 6 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 Cyproheptadine glucuronide?
The CAS number of Cyproheptadine glucuronide is 7402-55-3.
What is the molecular formula of Cyproheptadine glucuronide?
The molecular formula of Cyproheptadine glucuronide is C27H30NO6+.
What is the molecular weight of Cyproheptadine glucuronide?
The molecular weight of Cyproheptadine glucuronide is 464.21 g/mol.
Where can I buy Cyproheptadine glucuronide?
You can request a quote for Cyproheptadine glucuronide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyproheptadine glucuronide?
Yes, KEHONG BIO provides custom synthesis services for Cyproheptadine glucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.