Isomolpan
TL;DR: Isomolpan (CAS 107320-86-5) is a chemical compound with molecular formula C15H21NO2 and molecular weight 247.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4aR,10bS)-4-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-9-ol
Also Known As: Isomolpan, Isomolpan [INN], isomolpanum, ISOMOLPAN [WHO-DD], Cgs 15855A
| Molecular Formula | C15H21NO2 |
|---|---|
| Molecular Weight | 247.16 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 247.15723 |
| Heavy Atoms | 18 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 107320-86-5 |
|---|---|
| SMILES | CCCN1CCC[C@@H]2[C@@H]1COC3=C2C=C(C=C3)O |
| InChIKey | GSLWRDKYYIQKIM-JSGCOSHPSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isomolpan (CAS 107320-86-5), with molecular formula C15H21NO2 and molecular weight 247.16 g/mol. IUPAC: (4aR,10bS)-4-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-9-ol.
Chemical Property Profile of Isomolpan
Property Insights of Isomolpan
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isomolpan. With a topological polar surface area (TPSA) of 32.7 Ų, Isomolpan exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isomolpan has 1 hydrogen bond donor(s) and 3 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 Isomolpan?
The CAS number of Isomolpan is 107320-86-5.
What is the molecular formula of Isomolpan?
The molecular formula of Isomolpan is C15H21NO2.
What is the molecular weight of Isomolpan?
The molecular weight of Isomolpan is 247.16 g/mol.
Where can I buy Isomolpan?
You can request a quote for Isomolpan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isomolpan?
Yes, KEHONG BIO provides custom synthesis services for Isomolpan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.