Allocryptopine
TL;DR: Allocryptopine (CAS 485-91-6) is a chemical compound with molecular formula C21H23NO5 and molecular weight 369.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,8-dimethoxy-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: Allocryptopine, Thalictrimine, alpha-Fagarine, Allocrytopine, allo-cryptopine
| Molecular Formula | C21H23NO5 |
|---|---|
| Molecular Weight | 369.16 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 57.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 369.15762 |
| Heavy Atoms | 27 |
| Complexity | 529.0 |
Chemical Identifiers
| CAS Number | 485-91-6 |
|---|---|
| SMILES | CN1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C(=C(C=C4)OC)OC)OCO3 |
| InChIKey | HYBRYAPKQCZIAE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Allocryptopine (CAS 485-91-6), with molecular formula C21H23NO5 and molecular weight 369.16 g/mol. IUPAC: 7,8-dimethoxy-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 Allocryptopine
Property Insights of Allocryptopine
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Allocryptopine. With a topological polar surface area (TPSA) of 57.2 Ų, Allocryptopine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allocryptopine has 0 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 Allocryptopine?
The CAS number of Allocryptopine is 485-91-6.
What is the molecular formula of Allocryptopine?
The molecular formula of Allocryptopine is C21H23NO5.
What is the molecular weight of Allocryptopine?
The molecular weight of Allocryptopine is 369.16 g/mol.
Where can I buy Allocryptopine?
You can request a quote for Allocryptopine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allocryptopine?
Yes, KEHONG BIO provides custom synthesis services for Allocryptopine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.