Brevicompanine B
TL;DR: Brevicompanine B (CAS 215121-47-4) is a chemical compound with molecular formula C22H29N3O2 and molecular weight 367.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,4S,7S,9R)-9-(2-methylbut-3-en-2-yl)-4-(2-methylpropyl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
Also Known As: Brevicompanine B, allo-Brevicompanine B, J1.519.354I, (1S,4S,7S,9R)-9-(2-methylbut-3-en-2-yl)-4-(2-methylpropyl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione, (3S)-4H-2,4a,5-Triaza-2,3,4bbeta,5,9b,10-hexahydro-3beta-(2-methylpropyl)-9bbeta-(1,1-dimethylallyl)indeno[2,1-a]indene-1,4(10aalphaH)-dione
| Molecular Formula | C22H29N3O2 |
|---|---|
| Molecular Weight | 367.23 g/mol |
| LogP | 3.0336 |
| Topological Polar Surface Area | 61.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 367.22598 |
| Heavy Atoms | 27 |
| Complexity | 815.5308 |
Chemical Identifiers
| CAS Number | 215121-47-4 |
|---|---|
| SMILES | CC(C)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 B (CAS 215121-47-4), with molecular formula C22H29N3O2 and molecular weight 367.23 g/mol. IUPAC: (1S,4S,7S,9R)-9-(2-methylbut-3-en-2-yl)-4-(2-methylpropyl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione.
Chemical Property Profile of Brevicompanine B
Property Insights of Brevicompanine B
The XLogP value of 3.0336 indicates that Brevicompanine B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Brevicompanine B. Following Lipinski's Rule of Five, Brevicompanine B 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 B?
The CAS number of Brevicompanine B is 215121-47-4.
What is the molecular formula of Brevicompanine B?
The molecular formula of Brevicompanine B is C22H29N3O2.
What is the molecular weight of Brevicompanine B?
The molecular weight of Brevicompanine B is 367.23 g/mol.
Where can I buy Brevicompanine B?
You can request a quote for Brevicompanine B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Brevicompanine B?
Yes, KEHONG BIO provides custom synthesis services for Brevicompanine B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.