狗牙花定碱
TL;DR: 狗牙花定碱 (CAS 467-77-6) is a chemical compound with molecular formula C21H26N2O2 and molecular weight 338.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
狗牙花定碱
methyl (1S,15S,17S,18S)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate
Also Known As: CORONARIDINE, Coronardine, (-)-Coronaridine, Indole alkaloid derivative, methyl ethyl[?]carboxylate
| Molecular Formula | C21H26N2O2 |
|---|---|
| Molecular Weight | 338.20 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 45.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 338.19943 |
| Heavy Atoms | 25 |
| Complexity | 552.0 |
Chemical Identifiers
| CAS Number | 467-77-6 |
|---|---|
| SMILES | CC[C@H]1C[C@H]2C[C@@]3([C@H]1N(C2)CCC4=C3NC5=CC=CC=C45)C(=O)OC |
| InChIKey | NVVDQMVGALBDGE-KSWFMABOSA-N |
Product Overview
狗牙花定碱 (CAS 467-77-6), with molecular formula C21H26N2O2 and molecular weight 338.20 g/mol. IUPAC: methyl (1S,15S,17S,18S)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate.
Chemical Property Profile of 狗牙花定碱
Property Insights of 狗牙花定碱
The XLogP value of 3.5 indicates that 狗牙花定碱 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.3 Ų, 狗牙花定碱 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 狗牙花定碱 has 1 hydrogen bond donor(s) and 3 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 狗牙花定碱?
The CAS number of 狗牙花定碱 is 467-77-6.
What is the molecular formula of 狗牙花定碱?
The molecular formula of 狗牙花定碱 is C21H26N2O2.
What is the molecular weight of 狗牙花定碱?
The molecular weight of 狗牙花定碱 is 338.20 g/mol.
Where can I buy 狗牙花定碱?
You can request a quote for 狗牙花定碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 狗牙花定碱?
Yes, KEHONG BIO provides custom synthesis services for 狗牙花定碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.