Karasamine
TL;DR: Karasamine (CAS 84714-33-0) is a chemical compound with molecular formula C23H37NO4 and molecular weight 391.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2R,3R,4S,5R,8S,9S,16S,17R)-11-ethyl-4,6-dimethoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-8,16-diol
Also Known As: Karasamine, EINECS 283-813-5, 20-Ethyl-14,16-dimethoxy-4-methylaconitane-1,8-diol, (1S,2R,3R,4S,5R,8S,9S,16S,17R)-11-ethyl-4,6-dimethoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-8,16-diol, Aconitane-1,8-diol, 20-ethyl-14,16-dimethoxy-4-methyl-, (1alpha,14alpha,16beta)-
| Molecular Formula | C23H37NO4 |
|---|---|
| Molecular Weight | 391.27 g/mol |
| LogP | 1.9047 |
| Topological Polar Surface Area | 62.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 391.27225 |
| Heavy Atoms | 28 |
| Complexity | 687.5135 |
Chemical Identifiers
| CAS Number | 84714-33-0 |
|---|---|
| SMILES | CCN1CC2(CC[C@@H]([C@@]34[C@@H]2C[C@@H](C31)[C@]5(CC([C@H]6C[C@@H]4[C@@H]5[C@H]6OC)OC)O)O)C |
Product Overview
Karasamine (CAS 84714-33-0), with molecular formula C23H37NO4 and molecular weight 391.27 g/mol. IUPAC: (1S,2R,3R,4S,5R,8S,9S,16S,17R)-11-ethyl-4,6-dimethoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-8,16-diol.
Chemical Property Profile of Karasamine
Property Insights of Karasamine
The XLogP value of 1.9047 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Karasamine. The TPSA of 62.16 Ų falls within the moderate polarity range, balancing permeability and solubility for Karasamine. Following Lipinski's Rule of Five, Karasamine has 2 hydrogen bond donor(s) and 5 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 Karasamine?
The CAS number of Karasamine is 84714-33-0.
What is the molecular formula of Karasamine?
The molecular formula of Karasamine is C23H37NO4.
What is the molecular weight of Karasamine?
The molecular weight of Karasamine is 391.27 g/mol.
Where can I buy Karasamine?
You can request a quote for Karasamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Karasamine?
Yes, KEHONG BIO provides custom synthesis services for Karasamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.