Isogmelinol
TL;DR: Isogmelinol (CAS 597-01-3) is a chemical compound with molecular formula C22H26O7 and molecular weight 402.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,3aS,6S,6aR)-3,6-bis(3,4-dimethoxyphenyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-ol
Also Known As: Isogmelinol, Gmelinol, (+)-Isognerinol, 1H,3H-Furo(3,4-C)furan-3a(4H)-ol, 1,4-bis(3,4-dimethoxyphenyl)dihydro-, (1alpha,3aalpha,4alpha,6aalpha)-, 1H,3H-FURO(3,4-C)FURAN-3A(4H)-OL, 1,4-BIS(3,4-DIMETHOXYPHENYL)DIHYDRO-, (1.ALPHA.,3A.ALPHA.,4.ALPHA.,6A.ALPHA.)-
| Molecular Formula | C22H26O7 |
|---|---|
| Molecular Weight | 402.17 g/mol |
| LogP | 2.9111 |
| Topological Polar Surface Area | 75.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 402.16785 |
| Heavy Atoms | 29 |
| Complexity | 883.45966 |
Chemical Identifiers
| CAS Number | 597-01-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)[C@@H]2[C@H]3CO[C@@H]([C@]3(CO2)O)C4=CC(=C(C=C4)OC)OC)OC |
Product Overview
Isogmelinol (CAS 597-01-3), with molecular formula C22H26O7 and molecular weight 402.17 g/mol. IUPAC: (3R,3aS,6S,6aR)-3,6-bis(3,4-dimethoxyphenyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-ol.
Chemical Property Profile of Isogmelinol
Property Insights of Isogmelinol
The XLogP value of 2.9111 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isogmelinol. The TPSA of 75.61 Ų falls within the moderate polarity range, balancing permeability and solubility for Isogmelinol. Following Lipinski's Rule of Five, Isogmelinol has 1 hydrogen bond donor(s) and 7 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 Isogmelinol?
The CAS number of Isogmelinol is 597-01-3.
What is the molecular formula of Isogmelinol?
The molecular formula of Isogmelinol is C22H26O7.
What is the molecular weight of Isogmelinol?
The molecular weight of Isogmelinol is 402.17 g/mol.
Where can I buy Isogmelinol?
You can request a quote for Isogmelinol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isogmelinol?
Yes, KEHONG BIO provides custom synthesis services for Isogmelinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.