![methyl 5-amino-7-(1,3-benzodioxol-5-yl)-6-cyano-2-methyl-7H-thieno[3,2-b]pyran-3-carboxylate structure](/static/products/900/900901-63-5.png)
methyl 5-amino-7-(1,3-benzodioxol-5-yl)-6-cyano-2-methyl-7H-thieno[3,2-b]pyran-3-carboxylate
TL;DR: methyl 5-amino-7-(1,3-benzodioxol-5-yl)-6-cyano-2-methyl-7H-thieno[3,2-b]pyran-3-carboxylate (CAS 900901-63-5) is a chemical compound with molecular formula C18H14N2O5S and molecular weight 370.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-amino-7-(1,3-benzodioxol-5-yl)-6-cyano-2-methyl-7H-thieno[3,2-b]pyran-3-carboxylate
Also Known As: methyl 5-amino-7-(1,3-benzodioxol-5-yl)-6-cyano-2-methyl-7H-thieno[3,2-b]pyran-3-carboxylate, methyl 5-amino-7-(benzo[d][1,3]dioxol-5-yl)-6-cyano-2-methyl-7H-thieno[3,2-b]pyran-3-carboxylate
| Molecular Formula | C18H14N2O5S |
|---|---|
| Molecular Weight | 370.06 g/mol |
| LogP | 2.79 |
| Topological Polar Surface Area | 103.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 370.06235 |
| Heavy Atoms | 26 |
| Complexity | 1001.7409 |
Chemical Identifiers
| CAS Number | 900901-63-5 |
|---|---|
| SMILES | CC1=C(C2=C(S1)C(C(=C(O2)N)C#N)C3=CC4=C(C=C3)OCO4)C(=O)OC |
Product Overview
methyl 5-amino-7-(1,3-benzodioxol-5-yl)-6-cyano-2-methyl-7H-thieno[3,2-b]pyran-3-carboxylate (CAS 900901-63-5), with molecular formula C18H14N2O5S and molecular weight 370.06 g/mol. IUPAC: methyl 5-amino-7-(1,3-benzodioxol-5-yl)-6-cyano-2-methyl-7H-thieno[3,2-b]pyran-3-carboxylate.
Chemical Property Profile of methyl 5-amino-7-(1,3-benzodioxol-5-yl)-6-cyano-2-methyl-7H-thieno[3,2-b]pyran-3-carboxylate
Property Insights of methyl 5-amino-7-(1,3-benzodioxol-5-yl)-6-cyano-2-methyl-7H-thieno[3,2-b]pyran-3-carboxylate
The XLogP value of 2.79 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 5-amino-7-(1,3-benzodioxol-5-yl)-6-cyano-2-methyl-7H-thieno[3,2-b]pyran-3-carboxylate. The TPSA of 103.8 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 5-amino-7-(1,3-benzodioxol-5-yl)-6-cyano-2-methyl-7H-thieno[3,2-b]pyran-3-carboxylate. Following Lipinski's Rule of Five, methyl 5-amino-7-(1,3-benzodioxol-5-yl)-6-cyano-2-methyl-7H-thieno[3,2-b]pyran-3-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 5-amino-7-(1,3-benzodioxol-5-yl)-6-cyano-2-methyl-7H-thieno[3,2-b]pyran-3-carboxylate?
The CAS number of methyl 5-amino-7-(1,3-benzodioxol-5-yl)-6-cyano-2-methyl-7H-thieno[3,2-b]pyran-3-carboxylate is 900901-63-5.
What is the molecular formula of methyl 5-amino-7-(1,3-benzodioxol-5-yl)-6-cyano-2-methyl-7H-thieno[3,2-b]pyran-3-carboxylate?
The molecular formula of methyl 5-amino-7-(1,3-benzodioxol-5-yl)-6-cyano-2-methyl-7H-thieno[3,2-b]pyran-3-carboxylate is C18H14N2O5S.
What is the molecular weight of methyl 5-amino-7-(1,3-benzodioxol-5-yl)-6-cyano-2-methyl-7H-thieno[3,2-b]pyran-3-carboxylate?
The molecular weight of methyl 5-amino-7-(1,3-benzodioxol-5-yl)-6-cyano-2-methyl-7H-thieno[3,2-b]pyran-3-carboxylate is 370.06 g/mol.
Where can I buy methyl 5-amino-7-(1,3-benzodioxol-5-yl)-6-cyano-2-methyl-7H-thieno[3,2-b]pyran-3-carboxylate?
You can request a quote for methyl 5-amino-7-(1,3-benzodioxol-5-yl)-6-cyano-2-methyl-7H-thieno[3,2-b]pyran-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 5-amino-7-(1,3-benzodioxol-5-yl)-6-cyano-2-methyl-7H-thieno[3,2-b]pyran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-amino-7-(1,3-benzodioxol-5-yl)-6-cyano-2-methyl-7H-thieno[3,2-b]pyran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.