13a.alpha.-Berbine, 1,2,3,9,10-pentamethoxy-
TL;DR: 13a.alpha.-Berbine, 1,2,3,9,10-pentamethoxy- (CAS 6033-73-4) is a chemical compound with molecular formula C21H15ClN2O4 and molecular weight 394.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-[(2-chlorobenzoyl)amino]benzoyl]amino]benzoic acid
Also Known As: 13a.alpha.-Berbine, 1,2,3,9,10-pentamethoxy-, AN-979/13513048, 4-[2-(2-CHLOROBENZAMIDO)BENZAMIDO]BENZOIC ACID, 4-({2-[(2-chlorobenzene)amido]benzene}amido)benzoic acid, 4-({2-[(2-chlorobenzoyl)amino]benzoyl}amino)benzoic acid
| Molecular Formula | C21H15ClN2O4 |
|---|---|
| Molecular Weight | 394.07 g/mol |
| LogP | 4.5428 |
| Topological Polar Surface Area | 95.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 394.07202 |
| Heavy Atoms | 28 |
| Complexity | 1048.281 |
Chemical Identifiers
| CAS Number | 6033-73-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)C(=O)O)NC(=O)C3=CC=CC=C3Cl |
Product Overview
13a.alpha.-Berbine, 1,2,3,9,10-pentamethoxy- (CAS 6033-73-4), with molecular formula C21H15ClN2O4 and molecular weight 394.07 g/mol. IUPAC: 4-[[2-[(2-chlorobenzoyl)amino]benzoyl]amino]benzoic acid.
Chemical Property Profile of 13a.alpha.-Berbine, 1,2,3,9,10-pentamethoxy-
Property Insights of 13a.alpha.-Berbine, 1,2,3,9,10-pentamethoxy-
The XLogP value of 4.5428 indicates that 13a.alpha.-Berbine, 1,2,3,9,10-pentamethoxy- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 13a.alpha.-Berbine, 1,2,3,9,10-pentamethoxy-. Following Lipinski's Rule of Five, 13a.alpha.-Berbine, 1,2,3,9,10-pentamethoxy- has 3 hydrogen bond donor(s) and 3 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 13a.alpha.-Berbine, 1,2,3,9,10-pentamethoxy-?
The CAS number of 13a.alpha.-Berbine, 1,2,3,9,10-pentamethoxy- is 6033-73-4.
What is the molecular formula of 13a.alpha.-Berbine, 1,2,3,9,10-pentamethoxy-?
The molecular formula of 13a.alpha.-Berbine, 1,2,3,9,10-pentamethoxy- is C21H15ClN2O4.
What is the molecular weight of 13a.alpha.-Berbine, 1,2,3,9,10-pentamethoxy-?
The molecular weight of 13a.alpha.-Berbine, 1,2,3,9,10-pentamethoxy- is 394.07 g/mol.
Where can I buy 13a.alpha.-Berbine, 1,2,3,9,10-pentamethoxy-?
You can request a quote for 13a.alpha.-Berbine, 1,2,3,9,10-pentamethoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 13a.alpha.-Berbine, 1,2,3,9,10-pentamethoxy-?
Yes, KEHONG BIO provides custom synthesis services for 13a.alpha.-Berbine, 1,2,3,9,10-pentamethoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.