马钱子酸
TL;DR: 马钱子酸 (CAS 6882-90-2) is a chemical compound with molecular formula C21H20N2O6 and molecular weight 396.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
马钱子酸
2-[(9,14,15-trioxo-8,16-diazahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6-trien-11-yl)oxy]acetic acid
Also Known As: Strychninonic acid, STRCHNINONIC ACID, [(9,14,15-Trioxo-2,3,10,11,11a,12,13,13a-octahydro-9H,11bH-1,12-ethanopyrido[1,2,3-lm]pyrrolo[2,3-d]carbazol-11-yl)oxy]acetic acid
| Molecular Formula | C21H20N2O6 |
|---|---|
| Molecular Weight | 396.13 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 396.13214 |
| Heavy Atoms | 29 |
| Complexity | 828.0 |
Chemical Identifiers
| CAS Number | 6882-90-2 |
|---|---|
| SMILES | C1CN2C3C14C5C(C(C3)C(=O)C2=O)C(CC(=O)N5C6=CC=CC=C46)OCC(=O)O |
| InChIKey | SOQOBVXYWQJKPR-UHFFFAOYSA-N |
Product Overview
马钱子酸 (CAS 6882-90-2), with molecular formula C21H20N2O6 and molecular weight 396.13 g/mol. IUPAC: 2-[(9,14,15-trioxo-8,16-diazahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6-trien-11-yl)oxy]acetic acid.
Chemical Property Profile of 马钱子酸
Property Insights of 马钱子酸
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 马钱子酸. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 马钱子酸. Following Lipinski's Rule of Five, 马钱子酸 has 1 hydrogen bond donor(s) and 6 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 马钱子酸?
The CAS number of 马钱子酸 is 6882-90-2.
What is the molecular formula of 马钱子酸?
The molecular formula of 马钱子酸 is C21H20N2O6.
What is the molecular weight of 马钱子酸?
The molecular weight of 马钱子酸 is 396.13 g/mol.
Where can I buy 马钱子酸?
You can request a quote for 马钱子酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 马钱子酸?
Yes, KEHONG BIO provides custom synthesis services for 马钱子酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.