Brucine, dihydro-
TL;DR: Brucine, dihydro- (CAS 34637-40-6) is a chemical compound with molecular formula C23H28N2O4 and molecular weight 396.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10,11-dimethoxy-3,4,4a,5,5a,7,8,13a,15,15a,15b,16-dodecahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one
Also Known As: Brucine, dihydro-, 21,22-Dihydrobrucine, NCIOpen2_008646, 2,3-dimethoxy-21,22-dihydrostrychnidin-10-one, NCI60_041587
| Molecular Formula | C23H28N2O4 |
|---|---|
| Molecular Weight | 396.20 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 51.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 396.2049 |
| Heavy Atoms | 29 |
| Complexity | 732.0 |
Chemical Identifiers
| CAS Number | 34637-40-6 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C34CCN5C3CC6C(C5)CCOC7C6C4N2C(=O)C7)OC |
| InChIKey | BETNIDISFVHOSJ-UHFFFAOYSA-N |
Product Overview
Brucine, dihydro- (CAS 34637-40-6), with molecular formula C23H28N2O4 and molecular weight 396.20 g/mol. IUPAC: 10,11-dimethoxy-3,4,4a,5,5a,7,8,13a,15,15a,15b,16-dodecahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one.
Chemical Property Profile of Brucine, dihydro-
Property Insights of Brucine, dihydro-
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Brucine, dihydro-. With a topological polar surface area (TPSA) of 51.2 Ų, Brucine, dihydro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Brucine, dihydro- has 0 hydrogen bond donor(s) and 5 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 Brucine, dihydro-?
The CAS number of Brucine, dihydro- is 34637-40-6.
What is the molecular formula of Brucine, dihydro-?
The molecular formula of Brucine, dihydro- is C23H28N2O4.
What is the molecular weight of Brucine, dihydro-?
The molecular weight of Brucine, dihydro- is 396.20 g/mol.
Where can I buy Brucine, dihydro-?
You can request a quote for Brucine, dihydro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Brucine, dihydro-?
Yes, KEHONG BIO provides custom synthesis services for Brucine, dihydro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.