ChemDiv3_006028
TL;DR: ChemDiv3_006028 (CAS 573949-82-3) is a chemical compound with molecular formula C23H20N2O4S and molecular weight 420.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-(2-oxobenzo[cd]indol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: ChemDiv3_006028, IDI1_023938, methyl 2-{[(2-oxobenzo[cd]indol-1(2H)-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-({2-[2-oxobenzo[cd]indol-1(2H)-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-(2-(2-oxobenzo[cd]indol-1(2H)-yl)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C23H20N2O4S |
|---|---|
| Molecular Weight | 420.11 g/mol |
| LogP | 4.1656 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 420.11438 |
| Heavy Atoms | 30 |
| Complexity | 1208.1287 |
Chemical Identifiers
| CAS Number | 573949-82-3 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN3C4=CC=CC5=C4C(=CC=C5)C3=O |
Product Overview
ChemDiv3_006028 (CAS 573949-82-3), with molecular formula C23H20N2O4S and molecular weight 420.11 g/mol. IUPAC: methyl 2-[[2-(2-oxobenzo[cd]indol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of ChemDiv3_006028
Property Insights of ChemDiv3_006028
The XLogP value of 4.1656 indicates that ChemDiv3_006028 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 ChemDiv3_006028. Following Lipinski's Rule of Five, ChemDiv3_006028 has 1 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 ChemDiv3_006028?
The CAS number of ChemDiv3_006028 is 573949-82-3.
What is the molecular formula of ChemDiv3_006028?
The molecular formula of ChemDiv3_006028 is C23H20N2O4S.
What is the molecular weight of ChemDiv3_006028?
The molecular weight of ChemDiv3_006028 is 420.11 g/mol.
Where can I buy ChemDiv3_006028?
You can request a quote for ChemDiv3_006028 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_006028?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_006028 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.