Brevicompanine C
TL;DR: Brevicompanine C (CAS 847982-05-2) is a chemical compound with molecular formula C21H27N3O2 and molecular weight 353.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,4R,7S,9R)-9-(2-methylbut-3-en-2-yl)-4-propan-2-yl-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
Also Known As: brevicompanine C, brevicompanine, J2.159.089D, (1S,4R,7S,9R)-9-(2-methylbut-3-en-2-yl)-4-propan-2-yl-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione, (1S,4R,7S,9R)-9-(2-methylbut-3-en-2-yl)-4-(propan-2-yl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
| Molecular Formula | C21H27N3O2 |
|---|---|
| Molecular Weight | 353.21 g/mol |
| LogP | 2.6435 |
| Topological Polar Surface Area | 61.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 353.21033 |
| Heavy Atoms | 26 |
| Complexity | 800.20087 |
Chemical Identifiers
| CAS Number | 847982-05-2 |
|---|---|
| SMILES | CC(C)[C@@H]1C(=O)N2[C@@H](C[C@@]3([C@H]2NC4=CC=CC=C43)C(C)(C)C=C)C(=O)N1 |
Product Overview
Brevicompanine C (CAS 847982-05-2), with molecular formula C21H27N3O2 and molecular weight 353.21 g/mol. IUPAC: (1S,4R,7S,9R)-9-(2-methylbut-3-en-2-yl)-4-propan-2-yl-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione.
Chemical Property Profile of Brevicompanine C
Property Insights of Brevicompanine C
The XLogP value of 2.6435 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Brevicompanine C. The TPSA of 61.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Brevicompanine C. Following Lipinski's Rule of Five, Brevicompanine C has 2 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 Brevicompanine C?
The CAS number of Brevicompanine C is 847982-05-2.
What is the molecular formula of Brevicompanine C?
The molecular formula of Brevicompanine C is C21H27N3O2.
What is the molecular weight of Brevicompanine C?
The molecular weight of Brevicompanine C is 353.21 g/mol.
Where can I buy Brevicompanine C?
You can request a quote for Brevicompanine C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Brevicompanine C?
Yes, KEHONG BIO provides custom synthesis services for Brevicompanine C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.