Adifoline
TL;DR: Adifoline (CAS 20072-28-0) is a chemical compound with molecular formula C22H20N2O7 and molecular weight 424.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(14S,18S,19S,20R)-5,18-dihydroxy-15-methoxycarbonyl-20-methyl-17-oxa-1,11-diazapentacyclo[10.8.1.02,7.08,21.014,19]henicosa-2(7),3,5,8,10,12(21),15-heptaene-10-carboxylic acid
Also Known As: Adifoline, 5-methoxy-2,8,8-trimethyl-pyrano[2,3-h]chromen-4-one, (14S,18S,19S,20R)-5,18-dihydroxy-15-methoxycarbonyl-20-methyl-17-oxa-1,11-diazapentacyclo[10.8.1.02,7.08,21.014,19]henicosa-2(7),3,5,8,10,12(21),15-heptaene-10-carboxylic acid, 5-methoxy-2,8,8-trimethyl-pyrano(2,3-h)chromen-4-one, (14S,18S,19S,20R)-5,18-dihydroxy-15-(methoxycarbonyl)-20-methyl-17-oxa-1,11-diazapentacyclo[10.8.1.02,7.08,21.014,19]henicosa-2(7),3,5,8(21),9,11,15-heptaene-10-carboxylic acid
| Molecular Formula | C22H20N2O7 |
|---|---|
| Molecular Weight | 424.13 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 424.12704 |
| Heavy Atoms | 31 |
| Complexity | 788.0 |
Chemical Identifiers
| CAS Number | 20072-28-0 |
|---|---|
| SMILES | C[C@@H]1[C@@H]2[C@H](CC3=C4N1C5=C(C4=CC(=N3)C(=O)O)C=C(C=C5)O)C(=CO[C@@H]2O)C(=O)OC |
| InChIKey | DJWXVEDJWPDUBQ-DEALGVFLSA-N |
Product Overview
Adifoline (CAS 20072-28-0), with molecular formula C22H20N2O7 and molecular weight 424.13 g/mol. IUPAC: (14S,18S,19S,20R)-5,18-dihydroxy-15-methoxycarbonyl-20-methyl-17-oxa-1,11-diazapentacyclo[10.8.1.02,7.08,21.014,19]henicosa-2(7),3,5,8,10,12(21),15-heptaene-10-carboxylic acid.
Chemical Property Profile of Adifoline
Property Insights of Adifoline
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Adifoline. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Adifoline. Following Lipinski's Rule of Five, Adifoline has 3 hydrogen bond donor(s) and 8 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 Adifoline?
The CAS number of Adifoline is 20072-28-0.
What is the molecular formula of Adifoline?
The molecular formula of Adifoline is C22H20N2O7.
What is the molecular weight of Adifoline?
The molecular weight of Adifoline is 424.13 g/mol.
Where can I buy Adifoline?
You can request a quote for Adifoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Adifoline?
Yes, KEHONG BIO provides custom synthesis services for Adifoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.