紫堇明
TL;DR: 紫堇明 (CAS 6472-42-0) is a chemical compound with molecular formula C22H26N2O4 and molecular weight 382.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
紫堇明
methyl 15-ethylidene-18-hydroxy-3-methyl-19-oxa-3,13-diazahexacyclo[14.3.1.02,10.02,13.04,9.010,17]icosa-4,6,8-triene-17-carboxylate
Also Known As: Corymine
| Molecular Formula | C22H26N2O4 |
|---|---|
| Molecular Weight | 382.19 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 62.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 382.18927 |
| Heavy Atoms | 28 |
| Complexity | 770.0 |
Chemical Identifiers
| CAS Number | 6472-42-0 |
|---|---|
| SMILES | CC=C1CN2CCC34C2(C5CC1C3(C(O5)O)C(=O)OC)N(C6=CC=CC=C46)C |
| InChIKey | KRTMWLRPHKYUJX-UHFFFAOYSA-N |
Product Overview
紫堇明 (CAS 6472-42-0), with molecular formula C22H26N2O4 and molecular weight 382.19 g/mol. IUPAC: methyl 15-ethylidene-18-hydroxy-3-methyl-19-oxa-3,13-diazahexacyclo[14.3.1.02,10.02,13.04,9.010,17]icosa-4,6,8-triene-17-carboxylate.
Chemical Property Profile of 紫堇明
Property Insights of 紫堇明
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 紫堇明. The TPSA of 62.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 紫堇明. Following Lipinski's Rule of Five, 紫堇明 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 紫堇明?
The CAS number of 紫堇明 is 6472-42-0.
What is the molecular formula of 紫堇明?
The molecular formula of 紫堇明 is C22H26N2O4.
What is the molecular weight of 紫堇明?
The molecular weight of 紫堇明 is 382.19 g/mol.
Where can I buy 紫堇明?
You can request a quote for 紫堇明 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 紫堇明?
Yes, KEHONG BIO provides custom synthesis services for 紫堇明 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.