木番荔枝碱
TL;DR: 木番荔枝碱 (CAS 5462-78-2) is a chemical compound with molecular formula C18H17NO3 and molecular weight 295.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
木番荔枝碱
(12R)-16-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaene
Also Known As: Xylopine, (-)-xylopine, Xylopine, (-)-, Anolobine, O-methyl-, HY-N9534
| Molecular Formula | C18H17NO3 |
|---|---|
| Molecular Weight | 295.12 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 39.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 295.12085 |
| Heavy Atoms | 22 |
| Complexity | 431.0 |
Chemical Identifiers
| CAS Number | 5462-78-2 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)C3=C4[C@@H](C2)NCCC4=CC5=C3OCO5 |
| InChIKey | RFWCCZDSXIZJMF-CQSZACIVSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
木番荔枝碱 (CAS 5462-78-2), with molecular formula C18H17NO3 and molecular weight 295.12 g/mol. IUPAC: (12R)-16-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaene.
Chemical Property Profile of 木番荔枝碱
Property Insights of 木番荔枝碱
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 木番荔枝碱. With a topological polar surface area (TPSA) of 39.7 Ų, 木番荔枝碱 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 木番荔枝碱 has 1 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 木番荔枝碱?
The CAS number of 木番荔枝碱 is 5462-78-2.
What is the molecular formula of 木番荔枝碱?
The molecular formula of 木番荔枝碱 is C18H17NO3.
What is the molecular weight of 木番荔枝碱?
The molecular weight of 木番荔枝碱 is 295.12 g/mol.
Where can I buy 木番荔枝碱?
You can request a quote for 木番荔枝碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 木番荔枝碱?
Yes, KEHONG BIO provides custom synthesis services for 木番荔枝碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.