1-Methoxyallocryptopine
TL;DR: 1-Methoxyallocryptopine (CAS 56743-52-3) is a chemical compound with molecular formula C22H25NO6 and molecular weight 399.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,8,21-trimethoxy-11-methyl-17,19-dioxa-11-azatetracyclo[12.7.0.04,9.016,20]henicosa-1(21),4(9),5,7,14,16(20)-hexaen-2-one
Also Known As: 1-Methoxyallocryptopine, Oreonone, Allocryptopine, 1-methoxy-, trimethoxy(methyl)[?]one, 7,8,21-trimethoxy-11-methyl-17,19-dioxa-11-azatetracyclo[12.7.0.04,9.016,20]henicosa-1(21),4(9),5,7,14,16(20)-hexaen-2-one
| Molecular Formula | C22H25NO6 |
|---|---|
| Molecular Weight | 399.17 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 66.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 399.16818 |
| Heavy Atoms | 29 |
| Complexity | 574.0 |
Chemical Identifiers
| CAS Number | 56743-52-3 |
|---|---|
| SMILES | CN1CCC2=CC3=C(C(=C2C(=O)CC4=C(C1)C(=C(C=C4)OC)OC)OC)OCO3 |
| InChIKey | LLTCRRPEZHDFFY-UHFFFAOYSA-N |
Product Overview
1-Methoxyallocryptopine (CAS 56743-52-3), with molecular formula C22H25NO6 and molecular weight 399.17 g/mol. IUPAC: 7,8,21-trimethoxy-11-methyl-17,19-dioxa-11-azatetracyclo[12.7.0.04,9.016,20]henicosa-1(21),4(9),5,7,14,16(20)-hexaen-2-one.
Chemical Property Profile of 1-Methoxyallocryptopine
Property Insights of 1-Methoxyallocryptopine
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methoxyallocryptopine. The TPSA of 66.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methoxyallocryptopine. Following Lipinski's Rule of Five, 1-Methoxyallocryptopine has 0 hydrogen bond donor(s) and 7 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 1-Methoxyallocryptopine?
The CAS number of 1-Methoxyallocryptopine is 56743-52-3.
What is the molecular formula of 1-Methoxyallocryptopine?
The molecular formula of 1-Methoxyallocryptopine is C22H25NO6.
What is the molecular weight of 1-Methoxyallocryptopine?
The molecular weight of 1-Methoxyallocryptopine is 399.17 g/mol.
Where can I buy 1-Methoxyallocryptopine?
You can request a quote for 1-Methoxyallocryptopine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methoxyallocryptopine?
Yes, KEHONG BIO provides custom synthesis services for 1-Methoxyallocryptopine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.