番木鳖酸
TL;DR: 番木鳖酸 (CAS 51314-49-9) is a chemical compound with molecular formula C21H24N2O3 and molecular weight 352.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
番木鳖酸
2-(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: Strychninic acid, Methyldihydromorphine, 2-[?]ylacetic acid, 9,10-Secostrychnid-10-oic acid, NCI60_000514
| Molecular Formula | C21H24N2O3 |
|---|---|
| Molecular Weight | 352.18 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 352.17868 |
| Heavy Atoms | 26 |
| Complexity | 664.0 |
Chemical Identifiers
| CAS Number | 51314-49-9 |
|---|---|
| SMILES | C1CN2CC3=CCOC(C4C3CC2C15C4NC6=CC=CC=C56)CC(=O)O |
| InChIKey | SQIFUSVCLFHGOI-UHFFFAOYSA-N |
Product Overview
番木鳖酸 (CAS 51314-49-9), with molecular formula C21H24N2O3 and molecular weight 352.18 g/mol. IUPAC: 2-(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 番木鳖酸
Property Insights of 番木鳖酸
The XLogP value of -0.8 indicates that 番木鳖酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 番木鳖酸. Following Lipinski's Rule of Five, 番木鳖酸 has 2 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 番木鳖酸?
The CAS number of 番木鳖酸 is 51314-49-9.
What is the molecular formula of 番木鳖酸?
The molecular formula of 番木鳖酸 is C21H24N2O3.
What is the molecular weight of 番木鳖酸?
The molecular weight of 番木鳖酸 is 352.18 g/mol.
Where can I buy 番木鳖酸?
You can request a quote for 番木鳖酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 番木鳖酸?
Yes, KEHONG BIO provides custom synthesis services for 番木鳖酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.