![methyl 2-chloro-5-{[(2-oxobenzo[cd]indol-1(2H)-yl)acetyl]amino}benzoate structure](/static/products/7019/701924-31-4.webp)
methyl 2-chloro-5-{[(2-oxobenzo[cd]indol-1(2H)-yl)acetyl]amino}benzoate
TL;DR: methyl 2-chloro-5-{[(2-oxobenzo[cd]indol-1(2H)-yl)acetyl]amino}benzoate (CAS 701924-31-4) 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.
methyl 2-chloro-5-[[2-(2-oxobenzo[cd]indol-1-yl)acetyl]amino]benzoate
Also Known As: CBKinase1_006986, CBKinase1_019386, BAS 07782424, BRD-K60658281-001-01-5, methyl 2-chloro-5-(2-(2-oxobenzo[cd]indol-1(2H)-yl)acetamido)benzoate
| Molecular Formula | C21H15ClN2O4 |
|---|---|
| Molecular Weight | 394.07 g/mol |
| LogP | 3.8787 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.07202 |
| Heavy Atoms | 28 |
| Complexity | 1137.2037 |
Chemical Identifiers
| CAS Number | 701924-31-4 |
|---|---|
| SMILES | COC(=O)C1=C(C=CC(=C1)NC(=O)CN2C3=CC=CC4=C3C(=CC=C4)C2=O)Cl |
Product Overview
methyl 2-chloro-5-{[(2-oxobenzo[cd]indol-1(2H)-yl)acetyl]amino}benzoate (CAS 701924-31-4), with molecular formula C21H15ClN2O4 and molecular weight 394.07 g/mol. IUPAC: methyl 2-chloro-5-[[2-(2-oxobenzo[cd]indol-1-yl)acetyl]amino]benzoate.
Chemical Property Profile of methyl 2-chloro-5-{[(2-oxobenzo[cd]indol-1(2H)-yl)acetyl]amino}benzoate
Property Insights of methyl 2-chloro-5-{[(2-oxobenzo[cd]indol-1(2H)-yl)acetyl]amino}benzoate
The XLogP value of 3.8787 indicates that methyl 2-chloro-5-{[(2-oxobenzo[cd]indol-1(2H)-yl)acetyl]amino}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-chloro-5-{[(2-oxobenzo[cd]indol-1(2H)-yl)acetyl]amino}benzoate. Following Lipinski's Rule of Five, methyl 2-chloro-5-{[(2-oxobenzo[cd]indol-1(2H)-yl)acetyl]amino}benzoate has 1 hydrogen bond donor(s) and 4 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 methyl 2-chloro-5-{[(2-oxobenzo[cd]indol-1(2H)-yl)acetyl]amino}benzoate?
The CAS number of methyl 2-chloro-5-{[(2-oxobenzo[cd]indol-1(2H)-yl)acetyl]amino}benzoate is 701924-31-4.
What is the molecular formula of methyl 2-chloro-5-{[(2-oxobenzo[cd]indol-1(2H)-yl)acetyl]amino}benzoate?
The molecular formula of methyl 2-chloro-5-{[(2-oxobenzo[cd]indol-1(2H)-yl)acetyl]amino}benzoate is C21H15ClN2O4.
What is the molecular weight of methyl 2-chloro-5-{[(2-oxobenzo[cd]indol-1(2H)-yl)acetyl]amino}benzoate?
The molecular weight of methyl 2-chloro-5-{[(2-oxobenzo[cd]indol-1(2H)-yl)acetyl]amino}benzoate is 394.07 g/mol.
Where can I buy methyl 2-chloro-5-{[(2-oxobenzo[cd]indol-1(2H)-yl)acetyl]amino}benzoate?
You can request a quote for methyl 2-chloro-5-{[(2-oxobenzo[cd]indol-1(2H)-yl)acetyl]amino}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-chloro-5-{[(2-oxobenzo[cd]indol-1(2H)-yl)acetyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-chloro-5-{[(2-oxobenzo[cd]indol-1(2H)-yl)acetyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.