![methyl 2-[(6-chloro-2-oxochromene-3-carbonyl)amino]-4-(4-cyclohexylphenyl)thiophene-3-carboxylate structure](/static/products/4382/438211-13-3.webp)
methyl 2-[(6-chloro-2-oxochromene-3-carbonyl)amino]-4-(4-cyclohexylphenyl)thiophene-3-carboxylate
TL;DR: methyl 2-[(6-chloro-2-oxochromene-3-carbonyl)amino]-4-(4-cyclohexylphenyl)thiophene-3-carboxylate (CAS 438211-13-3) is a chemical compound with molecular formula C28H24ClNO5S and molecular weight 521.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(6-chloro-2-oxochromene-3-carbonyl)amino]-4-(4-cyclohexylphenyl)thiophene-3-carboxylate
Also Known As: methyl 2-[(6-chloro-2-oxochromene-3-carbonyl)amino]-4-(4-cyclohexylphenyl)thiophene-3-carboxylate, methyl 2-{[(6-chloro-2-oxo-2H-chromen-3-yl)carbonyl]amino}-4-(4-cyclohexylphenyl)-3-thiophenecarboxylate, methyl 2-(6-chloro-2-oxo-2H-chromene-3-carboxamido)-4-(4-cyclohexylphenyl)thiophene-3-carboxylate, methyl 2-[(6-chloro-2-oxochromen-3-yl)carbonylamino]-4-(4-cyclohexylphenyl)thi ophene-3-carboxylate, methyl 2-{[(6-chloro-2-oxo-2H-chromen-3-yl)carbonyl]amino}-4-(4-cyclohexylphenyl)thiophene-3-carboxylate
| Molecular Formula | C28H24ClNO5S |
|---|---|
| Molecular Weight | 521.11 g/mol |
| LogP | 7.2615 |
| Topological Polar Surface Area | 85.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 521.1064 |
| Heavy Atoms | 36 |
| Complexity | 1498.9011 |
Chemical Identifiers
| CAS Number | 438211-13-3 |
|---|---|
| SMILES | COC(=O)C1=C(SC=C1C2=CC=C(C=C2)C3CCCCC3)NC(=O)C4=CC5=C(C=CC(=C5)Cl)OC4=O |
Product Overview
methyl 2-[(6-chloro-2-oxochromene-3-carbonyl)amino]-4-(4-cyclohexylphenyl)thiophene-3-carboxylate (CAS 438211-13-3), with molecular formula C28H24ClNO5S and molecular weight 521.11 g/mol. IUPAC: methyl 2-[(6-chloro-2-oxochromene-3-carbonyl)amino]-4-(4-cyclohexylphenyl)thiophene-3-carboxylate.
Chemical Property Profile of methyl 2-[(6-chloro-2-oxochromene-3-carbonyl)amino]-4-(4-cyclohexylphenyl)thiophene-3-carboxylate
Property Insights of methyl 2-[(6-chloro-2-oxochromene-3-carbonyl)amino]-4-(4-cyclohexylphenyl)thiophene-3-carboxylate
The XLogP value of 7.2615 indicates that methyl 2-[(6-chloro-2-oxochromene-3-carbonyl)amino]-4-(4-cyclohexylphenyl)thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.61 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-[(6-chloro-2-oxochromene-3-carbonyl)amino]-4-(4-cyclohexylphenyl)thiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-[(6-chloro-2-oxochromene-3-carbonyl)amino]-4-(4-cyclohexylphenyl)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 methyl 2-[(6-chloro-2-oxochromene-3-carbonyl)amino]-4-(4-cyclohexylphenyl)thiophene-3-carboxylate?
The CAS number of methyl 2-[(6-chloro-2-oxochromene-3-carbonyl)amino]-4-(4-cyclohexylphenyl)thiophene-3-carboxylate is 438211-13-3.
What is the molecular formula of methyl 2-[(6-chloro-2-oxochromene-3-carbonyl)amino]-4-(4-cyclohexylphenyl)thiophene-3-carboxylate?
The molecular formula of methyl 2-[(6-chloro-2-oxochromene-3-carbonyl)amino]-4-(4-cyclohexylphenyl)thiophene-3-carboxylate is C28H24ClNO5S.
What is the molecular weight of methyl 2-[(6-chloro-2-oxochromene-3-carbonyl)amino]-4-(4-cyclohexylphenyl)thiophene-3-carboxylate?
The molecular weight of methyl 2-[(6-chloro-2-oxochromene-3-carbonyl)amino]-4-(4-cyclohexylphenyl)thiophene-3-carboxylate is 521.11 g/mol.
Where can I buy methyl 2-[(6-chloro-2-oxochromene-3-carbonyl)amino]-4-(4-cyclohexylphenyl)thiophene-3-carboxylate?
You can request a quote for methyl 2-[(6-chloro-2-oxochromene-3-carbonyl)amino]-4-(4-cyclohexylphenyl)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-[(6-chloro-2-oxochromene-3-carbonyl)amino]-4-(4-cyclohexylphenyl)thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[(6-chloro-2-oxochromene-3-carbonyl)amino]-4-(4-cyclohexylphenyl)thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.