Serpentine
TL;DR: Serpentine (CAS 131-07-7) is a chemical compound with molecular formula C21H20N2O3 and molecular weight 348.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (15R,16S,20S)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,3,5,7,9,11,18-heptaene-19-carboxylate
Also Known As: Serpentine, Serpentine (alkaloid), Schweizerite, Serpentin, serpentine(van)
| Molecular Formula | C21H20N2O3 |
|---|---|
| Molecular Weight | 348.15 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 53.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 348.1474 |
| Heavy Atoms | 26 |
| Complexity | 606.0 |
Chemical Identifiers
| CAS Number | 131-07-7 |
|---|---|
| SMILES | C[C@H]1[C@H]2CN3C=CC4=C5C=CC=CC5=NC4=C3C[C@@H]2C(=CO1)C(=O)OC |
| InChIKey | WYTGDNHDOZPMIW-VBNZEHGJSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Serpentine (CAS 131-07-7), with molecular formula C21H20N2O3 and molecular weight 348.15 g/mol. IUPAC: methyl (15R,16S,20S)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,3,5,7,9,11,18-heptaene-19-carboxylate.
Chemical Property Profile of Serpentine
Property Insights of Serpentine
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Serpentine. With a topological polar surface area (TPSA) of 53.4 Ų, Serpentine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Serpentine has 0 hydrogen bond donor(s) and 4 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 Serpentine?
The CAS number of Serpentine is 131-07-7.
What is the molecular formula of Serpentine?
The molecular formula of Serpentine is C21H20N2O3.
What is the molecular weight of Serpentine?
The molecular weight of Serpentine is 348.15 g/mol.
Where can I buy Serpentine?
You can request a quote for Serpentine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Serpentine?
Yes, KEHONG BIO provides custom synthesis services for Serpentine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.