MixCom6_002469
TL;DR: MixCom6_002469 (CAS 424806-89-3) is a chemical compound with molecular formula C19H20N2O5S and molecular weight 388.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-ethyl-2-[(2-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: MixCom6_002469, BIM-0047398.P001, methyl 6-ethyl-2-[(2-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 6-ethyl-2-{[(2-nitrophenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 6-ethyl-2-[(2-nitrophenyl)carbonylamino]-4,5,6,7-tetrahydrobenzo[b]thio phene-3-carboxylate
| Molecular Formula | C19H20N2O5S |
|---|---|
| Molecular Weight | 388.11 g/mol |
| LogP | 4.2101 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 388.10928 |
| Heavy Atoms | 27 |
| Complexity | 905.5001 |
Chemical Identifiers
| CAS Number | 424806-89-3 |
|---|---|
| SMILES | CCC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC=CC=C3[N+](=O)[O-] |
Product Overview
MixCom6_002469 (CAS 424806-89-3), with molecular formula C19H20N2O5S and molecular weight 388.11 g/mol. IUPAC: methyl 6-ethyl-2-[(2-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of MixCom6_002469
Property Insights of MixCom6_002469
The XLogP value of 4.2101 indicates that MixCom6_002469 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for MixCom6_002469. Following Lipinski's Rule of Five, MixCom6_002469 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 MixCom6_002469?
The CAS number of MixCom6_002469 is 424806-89-3.
What is the molecular formula of MixCom6_002469?
The molecular formula of MixCom6_002469 is C19H20N2O5S.
What is the molecular weight of MixCom6_002469?
The molecular weight of MixCom6_002469 is 388.11 g/mol.
Where can I buy MixCom6_002469?
You can request a quote for MixCom6_002469 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MixCom6_002469?
Yes, KEHONG BIO provides custom synthesis services for MixCom6_002469 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.