Isomatrine
TL;DR: Isomatrine (CAS 17801-36-4) is a chemical compound with molecular formula C15H24N2O and molecular weight 248.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2R,9R,17R)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one
Also Known As: Isomatrine, Matrine, [?]one, (5beta,6beta,7beta)-Matridin-15-one, (1S,2R,9R,17R)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one
| Molecular Formula | C15H24N2O |
|---|---|
| Molecular Weight | 248.19 g/mol |
| LogP | 1.8717 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 248.18886 |
| Heavy Atoms | 18 |
| Complexity | 354.40277 |
Chemical Identifiers
| CAS Number | 17801-36-4 |
|---|---|
| SMILES | C1C[C@@H]2[C@@H]3CCCN4[C@@H]3[C@H](CCC4)CN2C(=O)C1 |
Product Overview
Isomatrine (CAS 17801-36-4), with molecular formula C15H24N2O and molecular weight 248.19 g/mol. IUPAC: (1S,2R,9R,17R)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one.
Chemical Property Profile of Isomatrine
Property Insights of Isomatrine
The XLogP value of 1.8717 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isomatrine. With a topological polar surface area (TPSA) of 23.55 Ų, Isomatrine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isomatrine has 0 hydrogen bond donor(s) and 2 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 Isomatrine?
The CAS number of Isomatrine is 17801-36-4.
What is the molecular formula of Isomatrine?
The molecular formula of Isomatrine is C15H24N2O.
What is the molecular weight of Isomatrine?
The molecular weight of Isomatrine is 248.19 g/mol.
Where can I buy Isomatrine?
You can request a quote for Isomatrine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isomatrine?
Yes, KEHONG BIO provides custom synthesis services for Isomatrine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.