![methyl 3-{[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]amino}thiophene-2-carboxylate structure](/static/products/1020/1020252-21-4.webp)
methyl 3-{[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]amino}thiophene-2-carboxylate
TL;DR: methyl 3-{[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]amino}thiophene-2-carboxylate (CAS 1020252-21-4) is a chemical compound with molecular formula C13H13NO6S and molecular weight 311.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]thiophene-2-carboxylate
Also Known As: methyl 3-{[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]amino}thiophene-2-carboxylate, Methyl 3-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]thiophene-2-carboxylate, METHYL 3-(((4,4-DIMETHYL-2,6-DIOXO-3,5-DIOXANYLIDENE)METHYL)AMINO)THIOPHENE-2-CARBOXYLATE, methyl 3-{[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yliden)methyl]amino}-2-thiophenecarboxylate, Methyl 3-{(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yliden)methylamino}-2-thiophenecarboxylate
| Molecular Formula | C13H13NO6S |
|---|---|
| Molecular Weight | 311.05 g/mol |
| LogP | 1.6666 |
| Topological Polar Surface Area | 90.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.04636 |
| Heavy Atoms | 21 |
| Complexity | 608.3609 |
Chemical Identifiers
| CAS Number | 1020252-21-4 |
|---|---|
| SMILES | CC1(OC(=O)C(=CNC2=C(SC=C2)C(=O)OC)C(=O)O1)C |
Product Overview
methyl 3-{[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]amino}thiophene-2-carboxylate (CAS 1020252-21-4), with molecular formula C13H13NO6S and molecular weight 311.05 g/mol. IUPAC: methyl 3-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]thiophene-2-carboxylate.
Chemical Property Profile of methyl 3-{[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]amino}thiophene-2-carboxylate
Property Insights of methyl 3-{[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]amino}thiophene-2-carboxylate
The XLogP value of 1.6666 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-{[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]amino}thiophene-2-carboxylate. The TPSA of 90.93 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-{[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]amino}thiophene-2-carboxylate. Following Lipinski's Rule of Five, methyl 3-{[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]amino}thiophene-2-carboxylate has 1 hydrogen bond donor(s) and 8 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 3-{[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]amino}thiophene-2-carboxylate?
The CAS number of methyl 3-{[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]amino}thiophene-2-carboxylate is 1020252-21-4.
What is the molecular formula of methyl 3-{[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]amino}thiophene-2-carboxylate?
The molecular formula of methyl 3-{[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]amino}thiophene-2-carboxylate is C13H13NO6S.
What is the molecular weight of methyl 3-{[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]amino}thiophene-2-carboxylate?
The molecular weight of methyl 3-{[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]amino}thiophene-2-carboxylate is 311.05 g/mol.
Where can I buy methyl 3-{[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]amino}thiophene-2-carboxylate?
You can request a quote for methyl 3-{[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]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 3-{[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]amino}thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-{[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]amino}thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.