![methyl 2-[(3-chlorophenyl)carbamoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate structure](/static/products/5453/545364-54-3.webp)
methyl 2-[(3-chlorophenyl)carbamoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
TL;DR: methyl 2-[(3-chlorophenyl)carbamoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate (CAS 545364-54-3) is a chemical compound with molecular formula C18H19ClN2O3S and molecular weight 378.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3-chlorophenyl)carbamoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Also Known As: methyl 2-[(3-chlorophenyl)carbamoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, methyl 2-{[(3-chloroanilino)carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, methyl 2-{[N-(3-chlorophenyl)carbamoyl]amino}-4,5,6,7,8-pentahydrocyclohepta[1 ,2-b]thiophene-3-carboxylate
| Molecular Formula | C18H19ClN2O3S |
|---|---|
| Molecular Weight | 378.08 g/mol |
| LogP | 5.101 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 378.0805 |
| Heavy Atoms | 25 |
| Complexity | 803.614 |
Chemical Identifiers
| CAS Number | 545364-54-3 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)NC3=CC(=CC=C3)Cl |
Product Overview
methyl 2-[(3-chlorophenyl)carbamoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate (CAS 545364-54-3), with molecular formula C18H19ClN2O3S and molecular weight 378.08 g/mol. IUPAC: methyl 2-[(3-chlorophenyl)carbamoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate.
Chemical Property Profile of methyl 2-[(3-chlorophenyl)carbamoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Property Insights of methyl 2-[(3-chlorophenyl)carbamoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
The XLogP value of 5.101 indicates that methyl 2-[(3-chlorophenyl)carbamoylamino]-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 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-[(3-chlorophenyl)carbamoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-[(3-chlorophenyl)carbamoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 2-[(3-chlorophenyl)carbamoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate?
The CAS number of methyl 2-[(3-chlorophenyl)carbamoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate is 545364-54-3.
What is the molecular formula of methyl 2-[(3-chlorophenyl)carbamoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate?
The molecular formula of methyl 2-[(3-chlorophenyl)carbamoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate is C18H19ClN2O3S.
What is the molecular weight of methyl 2-[(3-chlorophenyl)carbamoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate?
The molecular weight of methyl 2-[(3-chlorophenyl)carbamoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate is 378.08 g/mol.
Where can I buy methyl 2-[(3-chlorophenyl)carbamoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate?
You can request a quote for methyl 2-[(3-chlorophenyl)carbamoylamino]-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 methyl 2-[(3-chlorophenyl)carbamoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[(3-chlorophenyl)carbamoylamino]-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.