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Methyl 5-[(azepan-2-ylidene)amino]thiophene-2-carboxylate
TL;DR: Methyl 5-[(azepan-2-ylidene)amino]thiophene-2-carboxylate (CAS 507232-42-0) is a chemical compound with molecular formula C12H16N2O2S and molecular weight 252.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)thiophene-2-carboxylate
Also Known As: methyl 5-[(azepan-2-ylidene)amino]thiophene-2-carboxylate, methyl 5-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)thiophene-2-carboxylate
| Molecular Formula | C12H16N2O2S |
|---|---|
| Molecular Weight | 252.09 g/mol |
| LogP | 2.9191 |
| Topological Polar Surface Area | 50.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.09325 |
| Heavy Atoms | 17 |
| Complexity | 425.89505 |
Chemical Identifiers
| CAS Number | 507232-42-0 |
|---|---|
| SMILES | COC(=O)C1=CC=C(S1)NC2=NCCCCC2 |
Product Overview
Methyl 5-[(azepan-2-ylidene)amino]thiophene-2-carboxylate (CAS 507232-42-0), with molecular formula C12H16N2O2S and molecular weight 252.09 g/mol. IUPAC: methyl 5-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)thiophene-2-carboxylate.
Chemical Property Profile of Methyl 5-[(azepan-2-ylidene)amino]thiophene-2-carboxylate
Property Insights of Methyl 5-[(azepan-2-ylidene)amino]thiophene-2-carboxylate
The XLogP value of 2.9191 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-[(azepan-2-ylidene)amino]thiophene-2-carboxylate. With a topological polar surface area (TPSA) of 50.69 Ų, Methyl 5-[(azepan-2-ylidene)amino]thiophene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 5-[(azepan-2-ylidene)amino]thiophene-2-carboxylate has 1 hydrogen bond donor(s) and 5 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-[(azepan-2-ylidene)amino]thiophene-2-carboxylate?
The CAS number of Methyl 5-[(azepan-2-ylidene)amino]thiophene-2-carboxylate is 507232-42-0.
What is the molecular formula of Methyl 5-[(azepan-2-ylidene)amino]thiophene-2-carboxylate?
The molecular formula of Methyl 5-[(azepan-2-ylidene)amino]thiophene-2-carboxylate is C12H16N2O2S.
What is the molecular weight of Methyl 5-[(azepan-2-ylidene)amino]thiophene-2-carboxylate?
The molecular weight of Methyl 5-[(azepan-2-ylidene)amino]thiophene-2-carboxylate is 252.09 g/mol.
Where can I buy Methyl 5-[(azepan-2-ylidene)amino]thiophene-2-carboxylate?
You can request a quote for Methyl 5-[(azepan-2-ylidene)amino]thiophene-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-[(azepan-2-ylidene)amino]thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-[(azepan-2-ylidene)amino]thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.