Brucinic acid
TL;DR: Brucinic acid (CAS 4765-57-5) is a chemical compound with molecular formula C23H28N2O5 and molecular weight 412.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(7,8-dimethoxy-15-oxa-1,11-diazahexacyclo[16.3.1.04,12.04,21.05,10.013,19]docosa-5,7,9,17-tetraen-14-yl)acetic acid
Also Known As: Brucinic acid, NCI60_000515, (7,8-dimethoxy-15-oxa-1,11-diazahexacyclo[16.3.1.04,12.04,21.05,10.013,19]docosa-5,7,9,17-tetraen-14-yl)acetic acid(non-preferred name), (7,8-Dimethoxy-15-oxa-1,11-diazahexacyclo[16.3.1.0~4,12~.0~4,21~.0~5,10~.0~13,19~]docosa-5,7,9,17-tetraen-14-yl)acetic acid, 17-Norcuran-16-propanoic acid, 19,20-didehydro-I(2),18-epoxy-10,11-dimethoxy-, (2I(3/4),3I(3/4),7I(3/4),15I(3/4))-
| Molecular Formula | C23H28N2O5 |
|---|---|
| Molecular Weight | 412.20 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 80.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 412.19983 |
| Heavy Atoms | 30 |
| Complexity | 758.0 |
Chemical Identifiers
| CAS Number | 4765-57-5 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C34CCN5C3CC6C(C4N2)C(OCC=C6C5)CC(=O)O)OC |
| InChIKey | RJTMEFDVTNQHTN-UHFFFAOYSA-N |
Product Overview
Brucinic acid (CAS 4765-57-5), with molecular formula C23H28N2O5 and molecular weight 412.20 g/mol. IUPAC: 2-(7,8-dimethoxy-15-oxa-1,11-diazahexacyclo[16.3.1.04,12.04,21.05,10.013,19]docosa-5,7,9,17-tetraen-14-yl)acetic acid.
Chemical Property Profile of Brucinic acid
Property Insights of Brucinic acid
The XLogP value of -0.9 indicates that Brucinic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 80.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Brucinic acid. Following Lipinski's Rule of Five, Brucinic acid has 2 hydrogen bond donor(s) and 7 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 Brucinic acid?
The CAS number of Brucinic acid is 4765-57-5.
What is the molecular formula of Brucinic acid?
The molecular formula of Brucinic acid is C23H28N2O5.
What is the molecular weight of Brucinic acid?
The molecular weight of Brucinic acid is 412.20 g/mol.
Where can I buy Brucinic acid?
You can request a quote for Brucinic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Brucinic acid?
Yes, KEHONG BIO provides custom synthesis services for Brucinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.