Cassythine
TL;DR: Cassythine (CAS 4030-51-7) is a chemical compound with molecular formula C19H19NO5 and molecular weight 341.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(12S)-7,17-dimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),14,16,18-hexaen-16-ol
Also Known As: Cassyfiline, Cassythine, 2-m-Tolylthio-ethanol, HY-N3547, 9142AF
| Molecular Formula | C19H19NO5 |
|---|---|
| Molecular Weight | 341.13 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 69.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 341.1263 |
| Heavy Atoms | 25 |
| Complexity | 504.0 |
Chemical Identifiers
| CAS Number | 4030-51-7 |
|---|---|
| SMILES | COC1=C(C=C2C[C@H]3C4=C(CCN3)C(=C5C(=C4C2=C1)OCO5)OC)O |
| InChIKey | FZXIOJQNDYKPCE-LBPRGKRZSA-N |
Product Overview
Cassythine (CAS 4030-51-7), with molecular formula C19H19NO5 and molecular weight 341.13 g/mol. IUPAC: (12S)-7,17-dimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),14,16,18-hexaen-16-ol.
Chemical Property Profile of Cassythine
Property Insights of Cassythine
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cassythine. The TPSA of 69.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Cassythine. Following Lipinski's Rule of Five, Cassythine has 2 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 Cassythine?
The CAS number of Cassythine is 4030-51-7.
What is the molecular formula of Cassythine?
The molecular formula of Cassythine is C19H19NO5.
What is the molecular weight of Cassythine?
The molecular weight of Cassythine is 341.13 g/mol.
Where can I buy Cassythine?
You can request a quote for Cassythine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cassythine?
Yes, KEHONG BIO provides custom synthesis services for Cassythine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.