Isoglycyrol
TL;DR: Isoglycyrol (CAS 23571-46-2) is a chemical compound with molecular formula C21H18O6 and molecular weight 366.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-hydroxy-21-methoxy-17,17-dimethyl-3,12,16-trioxapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4(9),5,7,13,15(20)-heptaen-11-one
Also Known As: Isoglycyrol, iso-glycyrol, hydroxy-methoxy-dimethyl-[?]one, J2.037.047E, 1H,7H-Benzofuro(3,2-c)pyrano(3,2-g)(1)benzopyran-7-one, 2,3-dihydro-10-hydroxy-13-methoxy-3,3-dimethyl-
| Molecular Formula | C21H18O6 |
|---|---|
| Molecular Weight | 366.11 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 78.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 366.11035 |
| Heavy Atoms | 27 |
| Complexity | 605.0 |
Chemical Identifiers
| CAS Number | 23571-46-2 |
|---|---|
| SMILES | CC1(CCC2=C(O1)C=C3C(=C2OC)C4=C(C5=C(O4)C=C(C=C5)O)C(=O)O3)C |
| InChIKey | CFWLRXJPRRCJTI-UHFFFAOYSA-N |
Product Overview
Isoglycyrol (CAS 23571-46-2), with molecular formula C21H18O6 and molecular weight 366.11 g/mol. IUPAC: 6-hydroxy-21-methoxy-17,17-dimethyl-3,12,16-trioxapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4(9),5,7,13,15(20)-heptaen-11-one.
Chemical Property Profile of Isoglycyrol
Property Insights of Isoglycyrol
The XLogP value of 4.1 indicates that Isoglycyrol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Isoglycyrol. Following Lipinski's Rule of Five, Isoglycyrol has 1 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 Isoglycyrol?
The CAS number of Isoglycyrol is 23571-46-2.
What is the molecular formula of Isoglycyrol?
The molecular formula of Isoglycyrol is C21H18O6.
What is the molecular weight of Isoglycyrol?
The molecular weight of Isoglycyrol is 366.11 g/mol.
Where can I buy Isoglycyrol?
You can request a quote for Isoglycyrol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoglycyrol?
Yes, KEHONG BIO provides custom synthesis services for Isoglycyrol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.