}carbonylamino)-4-cyano-3-methy lthiophene-2-carboxylate structure](/static/products/4064/406470-69-7.webp)
methyl 5-({5-[(4-chlorophenoxy)methyl](2-furyl)}carbonylamino)-4-cyano-3-methy lthiophene-2-carboxylate
TL;DR: methyl 5-({5-[(4-chlorophenoxy)methyl](2-furyl)}carbonylamino)-4-cyano-3-methy lthiophene-2-carboxylate (CAS 406470-69-7) is a chemical compound with molecular formula C20H15ClN2O5S and molecular weight 430.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[[5-[(4-chlorophenoxy)methyl]furan-2-carbonyl]amino]-4-cyano-3-methylthiophene-2-carboxylate
Also Known As: methyl 5-({5-[(4-chlorophenoxy)methyl](2-furyl)}carbonylamino)-4-cyano-3-methy lthiophene-2-carboxylate, METHYL 5-[({5-[(4-CHLOROPHENOXY)METHYL]-2-FURYL}CARBONYL)AMINO]-4-CYANO-3-METHYL-2-THIOPHENECARBOXYLATE, methyl 5-[({5-[(4-chlorophenoxy)methyl]furan-2-yl}carbonyl)amino]-4-cyano-3-methylthiophene-2-carboxylate, Methyl 5-[[[5-[(4-chlorophenoxy)methyl]-2-furanyl]carbonyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylate, methyl 5-[[5-[(4-chlorophenoxy)methyl]furan-2-carbonyl]amino]-4-cyano-3-methylthiophene-2-carboxylate
| Molecular Formula | C20H15ClN2O5S |
|---|---|
| Molecular Weight | 430.04 g/mol |
| LogP | 4.7925 |
| Topological Polar Surface Area | 101.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 430.03903 |
| Heavy Atoms | 29 |
| Complexity | 1095.2672 |
Chemical Identifiers
| CAS Number | 406470-69-7 |
|---|---|
| SMILES | CC1=C(SC(=C1C#N)NC(=O)C2=CC=C(O2)COC3=CC=C(C=C3)Cl)C(=O)OC |
Product Overview
methyl 5-({5-[(4-chlorophenoxy)methyl](2-furyl)}carbonylamino)-4-cyano-3-methy lthiophene-2-carboxylate (CAS 406470-69-7), with molecular formula C20H15ClN2O5S and molecular weight 430.04 g/mol. IUPAC: methyl 5-[[5-[(4-chlorophenoxy)methyl]furan-2-carbonyl]amino]-4-cyano-3-methylthiophene-2-carboxylate.
Chemical Property Profile of methyl 5-({5-[(4-chlorophenoxy)methyl](2-furyl)}carbonylamino)-4-cyano-3-methy lthiophene-2-carboxylate
Property Insights of methyl 5-({5-[(4-chlorophenoxy)methyl](2-furyl)}carbonylamino)-4-cyano-3-methy lthiophene-2-carboxylate
The XLogP value of 4.7925 indicates that methyl 5-({5-[(4-chlorophenoxy)methyl](2-furyl)}carbonylamino)-4-cyano-3-methy lthiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.56 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 5-({5-[(4-chlorophenoxy)methyl](2-furyl)}carbonylamino)-4-cyano-3-methy lthiophene-2-carboxylate. Following Lipinski's Rule of Five, methyl 5-({5-[(4-chlorophenoxy)methyl](2-furyl)}carbonylamino)-4-cyano-3-methy lthiophene-2-carboxylate has 1 hydrogen bond donor(s) and 7 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 methyl 5-({5-[(4-chlorophenoxy)methyl](2-furyl)}carbonylamino)-4-cyano-3-methy lthiophene-2-carboxylate?
The CAS number of methyl 5-({5-[(4-chlorophenoxy)methyl](2-furyl)}carbonylamino)-4-cyano-3-methy lthiophene-2-carboxylate is 406470-69-7.
What is the molecular formula of methyl 5-({5-[(4-chlorophenoxy)methyl](2-furyl)}carbonylamino)-4-cyano-3-methy lthiophene-2-carboxylate?
The molecular formula of methyl 5-({5-[(4-chlorophenoxy)methyl](2-furyl)}carbonylamino)-4-cyano-3-methy lthiophene-2-carboxylate is C20H15ClN2O5S.
What is the molecular weight of methyl 5-({5-[(4-chlorophenoxy)methyl](2-furyl)}carbonylamino)-4-cyano-3-methy lthiophene-2-carboxylate?
The molecular weight of methyl 5-({5-[(4-chlorophenoxy)methyl](2-furyl)}carbonylamino)-4-cyano-3-methy lthiophene-2-carboxylate is 430.04 g/mol.
Where can I buy methyl 5-({5-[(4-chlorophenoxy)methyl](2-furyl)}carbonylamino)-4-cyano-3-methy lthiophene-2-carboxylate?
You can request a quote for methyl 5-({5-[(4-chlorophenoxy)methyl](2-furyl)}carbonylamino)-4-cyano-3-methy lthiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 5-({5-[(4-chlorophenoxy)methyl](2-furyl)}carbonylamino)-4-cyano-3-methy lthiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-({5-[(4-chlorophenoxy)methyl](2-furyl)}carbonylamino)-4-cyano-3-methy lthiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.