O-Methylcassythine
TL;DR: O-Methylcassythine (CAS 3984-10-9) is a chemical compound with molecular formula C20H21NO5 and molecular weight 355.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(12S)-7,16,17-trimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),14,16,18-hexaene
Also Known As: O-Methylcassythine, HY-N13714
| Molecular Formula | C20H21NO5 |
|---|---|
| Molecular Weight | 355.14 g/mol |
| LogP | 2.851 |
| Topological Polar Surface Area | 58.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 355.14197 |
| Heavy Atoms | 26 |
| Complexity | 908.0502 |
Chemical Identifiers
| CAS Number | 3984-10-9 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C[C@H]3C4=C(CCN3)C(=C5C(=C24)OCO5)OC)OC |
Product Overview
O-Methylcassythine (CAS 3984-10-9), with molecular formula C20H21NO5 and molecular weight 355.14 g/mol. IUPAC: (12S)-7,16,17-trimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),14,16,18-hexaene.
Chemical Property Profile of O-Methylcassythine
Property Insights of O-Methylcassythine
The XLogP value of 2.851 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-Methylcassythine. With a topological polar surface area (TPSA) of 58.18 Ų, O-Methylcassythine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-Methylcassythine has 1 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 O-Methylcassythine?
The CAS number of O-Methylcassythine is 3984-10-9.
What is the molecular formula of O-Methylcassythine?
The molecular formula of O-Methylcassythine is C20H21NO5.
What is the molecular weight of O-Methylcassythine?
The molecular weight of O-Methylcassythine is 355.14 g/mol.
Where can I buy O-Methylcassythine?
You can request a quote for O-Methylcassythine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-Methylcassythine?
Yes, KEHONG BIO provides custom synthesis services for O-Methylcassythine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.