裸麦角碱
TL;DR: 裸麦角碱 (CAS 2390-99-0) is a chemical compound with molecular formula C16H20N2O and molecular weight 256.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
裸麦角碱
2-methyl-3-[4-(methylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-5-yl]prop-2-en-1-ol
Also Known As: Isochanoclavin, (R,R)-Chanoclavine
| Molecular Formula | C16H20N2O |
|---|---|
| Molecular Weight | 256.16 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 48.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 256.15756 |
| Heavy Atoms | 19 |
| Complexity | 355.0 |
Chemical Identifiers
| CAS Number | 2390-99-0 |
|---|---|
| SMILES | CC(=CC1C(CC2=CNC3=CC=CC1=C23)NC)CO |
| InChIKey | SAHHMCVYMGARBT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
裸麦角碱 (CAS 2390-99-0), with molecular formula C16H20N2O and molecular weight 256.16 g/mol. IUPAC: 2-methyl-3-[4-(methylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-5-yl]prop-2-en-1-ol.
Chemical Property Profile of 裸麦角碱
Property Insights of 裸麦角碱
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 裸麦角碱. With a topological polar surface area (TPSA) of 48.1 Ų, 裸麦角碱 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 裸麦角碱 has 3 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 裸麦角碱?
The CAS number of 裸麦角碱 is 2390-99-0.
What is the molecular formula of 裸麦角碱?
The molecular formula of 裸麦角碱 is C16H20N2O.
What is the molecular weight of 裸麦角碱?
The molecular weight of 裸麦角碱 is 256.16 g/mol.
Where can I buy 裸麦角碱?
You can request a quote for 裸麦角碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 裸麦角碱?
Yes, KEHONG BIO provides custom synthesis services for 裸麦角碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.