Brevianamide D
TL;DR: Brevianamide D (CAS 38136-69-5) is a chemical compound with molecular formula C21H23N3O3 and molecular weight 365.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7S,10S)-7-[(E)-(3-oxo-1H-indol-2-ylidene)methyl]-10-propan-2-yl-5,8-diazatricyclo[5.2.2.01,5]undecane-6,9-dione
Also Known As: Brevianamide D, 6H-3,8a-Ethanopyrrolo(1,2-a)pyrazine-1,4-dione, 3-((1,3-dihydro-3-oxo-2H-indol-2-ylidene)methyl)tetrahydro-10-(1-methylethyl)-, (3S-(3alpha(E),8abeta,10R*))-, 6H-3,8a-Ethanopyrrolo[1,2-a]pyrazine-1,4-dione,3-[(E)-(1,3-dihydro-3-oxo-2H-indol-2-ylidene)methyl]tetrahydro-10-(1-methylethyl)-,(3S,8aR,10S)- (9CI)
| Molecular Formula | C21H23N3O3 |
|---|---|
| Molecular Weight | 365.17 g/mol |
| LogP | 2.0844 |
| Topological Polar Surface Area | 78.51 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 365.17395 |
| Heavy Atoms | 27 |
| Complexity | 921.00183 |
Chemical Identifiers
| CAS Number | 38136-69-5 |
|---|---|
| SMILES | CC(C)[C@@H]1C[C@@]2(C(=O)N3C1(CCC3)C(=O)N2)/C=C/4\C(=O)C5=CC=CC=C5N4 |
Product Overview
Brevianamide D (CAS 38136-69-5), with molecular formula C21H23N3O3 and molecular weight 365.17 g/mol. IUPAC: (7S,10S)-7-[(E)-(3-oxo-1H-indol-2-ylidene)methyl]-10-propan-2-yl-5,8-diazatricyclo[5.2.2.01,5]undecane-6,9-dione.
Chemical Property Profile of Brevianamide D
Property Insights of Brevianamide D
The XLogP value of 2.0844 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Brevianamide D. The TPSA of 78.51 Ų falls within the moderate polarity range, balancing permeability and solubility for Brevianamide D. Following Lipinski's Rule of Five, Brevianamide D has 2 hydrogen bond donor(s) and 4 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 Brevianamide D?
The CAS number of Brevianamide D is 38136-69-5.
What is the molecular formula of Brevianamide D?
The molecular formula of Brevianamide D is C21H23N3O3.
What is the molecular weight of Brevianamide D?
The molecular weight of Brevianamide D is 365.17 g/mol.
Where can I buy Brevianamide D?
You can request a quote for Brevianamide D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Brevianamide D?
Yes, KEHONG BIO provides custom synthesis services for Brevianamide D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.