Aphidicolin glycinate
TL;DR: Aphidicolin glycinate (CAS 123252-56-2) is a chemical compound with molecular formula C22H38ClNO5 and molecular weight 431.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2S,5R,6R,7R,10S,12R,13R)-5,13-dihydroxy-6-(hydroxymethyl)-2,6-dimethyl-13-tetracyclo[10.3.1.01,10.02,7]hexadecanyl]methyl 2-aminoacetate;hydrochloride
Also Known As: AphiG, Aphidicolin glycinate, Aphidicolin-17-glycinate, KST-1A9240, SID:76715634
| Molecular Formula | C22H38ClNO5 |
|---|---|
| Molecular Weight | 431.24 g/mol |
| LogP | 2.0172 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 431.24387 |
| Heavy Atoms | 29 |
| Complexity | 642.0 |
| Solubility | H20 100 (mg/mL) |
Chemical Identifiers
| CAS Number | 123252-56-2 |
|---|---|
| SMILES | C[C@]12CC[C@H]([C@@]([C@@H]1CC[C@@H]3[C@@]24CC[C@@]([C@H](C3)C4)(COC(=O)CN)O)(C)CO)O.Cl |
| InChIKey | SGPJMFVJKNVPLI-CJXLBUIWSA-N |
Product Overview
Aphidicolin glycinate (CAS 123252-56-2), with molecular formula C22H38ClNO5 and molecular weight 431.24 g/mol. IUPAC: [(1S,2S,5R,6R,7R,10S,12R,13R)-5,13-dihydroxy-6-(hydroxymethyl)-2,6-dimethyl-13-tetracyclo[10.3.1.01,10.02,7]hexadecanyl]methyl 2-aminoacetate;hydrochloride.
Chemical Property Profile of Aphidicolin glycinate
Property Insights of Aphidicolin glycinate
The XLogP value of 2.0172 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aphidicolin glycinate. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Aphidicolin glycinate. Following Lipinski's Rule of Five, Aphidicolin glycinate has 5 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 Aphidicolin glycinate?
The CAS number of Aphidicolin glycinate is 123252-56-2.
What is the molecular formula of Aphidicolin glycinate?
The molecular formula of Aphidicolin glycinate is C22H38ClNO5.
What is the molecular weight of Aphidicolin glycinate?
The molecular weight of Aphidicolin glycinate is 431.24 g/mol.
Where can I buy Aphidicolin glycinate?
You can request a quote for Aphidicolin glycinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aphidicolin glycinate?
Yes, KEHONG BIO provides custom synthesis services for Aphidicolin glycinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.