![isopropyl 2-({5-chloro-2-nitrobenzoyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate structure](/static/products/3526/352687-63-9.webp)
isopropyl 2-({5-chloro-2-nitrobenzoyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
TL;DR: isopropyl 2-({5-chloro-2-nitrobenzoyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate (CAS 352687-63-9) is a chemical compound with molecular formula C20H21ClN2O5S and molecular weight 436.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[(5-chloro-2-nitrobenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Also Known As: isopropyl 2-({5-chloro-2-nitrobenzoyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, propan-2-yl 2-[(5-chloro-2-nitrobenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, isopropyl 2-(5-chloro-2-nitrobenzamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, ISOPROPYL 2-[(5-CHLORO-2-NITROBENZOYL)AMINO]-5,6,7,8-TETRAHYDRO-4H-CYCLOHEPTA[B]THIOPHENE-3-CARBOXYLATE, propan-2-yl 2-{[(5-chloro-2-nitrophenyl)carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
| Molecular Formula | C20H21ClN2O5S |
|---|---|
| Molecular Weight | 436.09 g/mol |
| LogP | 5.3961 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 436.08597 |
| Heavy Atoms | 29 |
| Complexity | 970.0214 |
Chemical Identifiers
| CAS Number | 352687-63-9 |
|---|---|
| SMILES | CC(C)OC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-] |
Product Overview
isopropyl 2-({5-chloro-2-nitrobenzoyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate (CAS 352687-63-9), with molecular formula C20H21ClN2O5S and molecular weight 436.09 g/mol. IUPAC: propan-2-yl 2-[(5-chloro-2-nitrobenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate.
Chemical Property Profile of isopropyl 2-({5-chloro-2-nitrobenzoyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Property Insights of isopropyl 2-({5-chloro-2-nitrobenzoyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
The XLogP value of 5.3961 indicates that isopropyl 2-({5-chloro-2-nitrobenzoyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate 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 isopropyl 2-({5-chloro-2-nitrobenzoyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, isopropyl 2-({5-chloro-2-nitrobenzoyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of isopropyl 2-({5-chloro-2-nitrobenzoyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate?
The CAS number of isopropyl 2-({5-chloro-2-nitrobenzoyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate is 352687-63-9.
What is the molecular formula of isopropyl 2-({5-chloro-2-nitrobenzoyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate?
The molecular formula of isopropyl 2-({5-chloro-2-nitrobenzoyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate is C20H21ClN2O5S.
What is the molecular weight of isopropyl 2-({5-chloro-2-nitrobenzoyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate?
The molecular weight of isopropyl 2-({5-chloro-2-nitrobenzoyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate is 436.09 g/mol.
Where can I buy isopropyl 2-({5-chloro-2-nitrobenzoyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate?
You can request a quote for isopropyl 2-({5-chloro-2-nitrobenzoyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for isopropyl 2-({5-chloro-2-nitrobenzoyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for isopropyl 2-({5-chloro-2-nitrobenzoyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.