Androcymbine
TL;DR: Androcymbine (CAS 2115-98-2) is a chemical compound with molecular formula C21H25NO5 and molecular weight 371.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(10R)-4-hydroxy-3,5,14-trimethoxy-18-methyl-18-azatetracyclo[8.5.3.01,11.02,7]octadeca-2,4,6,11,14-pentaen-13-one
Also Known As: Androcymbine, (10R)-4-Hydroxy-3,5,14-trimethoxy-18-methyl-18-azatetracyclo[8.5.3.01,11.02,7]octadeca-2,4,6,11,14-pentaen-13-one, B-Homomorphinan-7-one, 5,6,8,14-tetradehydro-3-hydroxy-2,4,6-trimethoxy-17-methyl-, (9alpha,13alpha)-, (7S)-6,7-Dihydro-2-hydroxy-1,3,10-trimethoxy-14-methyl-7,11a-(iminoethano)-11aH-dibenzo[a,c]cyclohepten-9(5H)-one
| Molecular Formula | C21H25NO5 |
|---|---|
| Molecular Weight | 371.17 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 68.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 371.17328 |
| Heavy Atoms | 27 |
| Complexity | 673.0 |
Chemical Identifiers
| CAS Number | 2115-98-2 |
|---|---|
| SMILES | CN1CCC23C=C(C(=O)C=C2[C@H]1CCC4=CC(=C(C(=C34)OC)O)OC)OC |
| InChIKey | ABMMKLCVJJTPJD-CKAQCJTGSA-N |
Product Overview
Androcymbine (CAS 2115-98-2), with molecular formula C21H25NO5 and molecular weight 371.17 g/mol. IUPAC: (10R)-4-hydroxy-3,5,14-trimethoxy-18-methyl-18-azatetracyclo[8.5.3.01,11.02,7]octadeca-2,4,6,11,14-pentaen-13-one.
Chemical Property Profile of Androcymbine
Property Insights of Androcymbine
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Androcymbine. The TPSA of 68.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Androcymbine. Following Lipinski's Rule of Five, Androcymbine 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 Androcymbine?
The CAS number of Androcymbine is 2115-98-2.
What is the molecular formula of Androcymbine?
The molecular formula of Androcymbine is C21H25NO5.
What is the molecular weight of Androcymbine?
The molecular weight of Androcymbine is 371.17 g/mol.
Where can I buy Androcymbine?
You can request a quote for Androcymbine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Androcymbine?
Yes, KEHONG BIO provides custom synthesis services for Androcymbine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.