![methyl 2-(3-benzylureido)-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate structure](/static/products/893/893676-85-2.png)
methyl 2-(3-benzylureido)-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate
TL;DR: methyl 2-(3-benzylureido)-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate (CAS 893676-85-2) is a chemical compound with molecular formula C19H22N2O4S and molecular weight 374.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(benzylcarbamoylamino)-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate
Also Known As: methyl 2-(3-benzylureido)-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate, methyl 2-(benzylcarbamoylamino)-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate, methyl 2-[(benzylcarbamoyl)amino]-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate
| Molecular Formula | C19H22N2O4S |
|---|---|
| Molecular Weight | 374.13 g/mol |
| LogP | 3.7077 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 374.13004 |
| Heavy Atoms | 26 |
| Complexity | 814.44666 |
Chemical Identifiers
| CAS Number | 893676-85-2 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC(=C2C(=O)OC)NC(=O)NCC3=CC=CC=C3)C |
Product Overview
methyl 2-(3-benzylureido)-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate (CAS 893676-85-2), with molecular formula C19H22N2O4S and molecular weight 374.13 g/mol. IUPAC: methyl 2-(benzylcarbamoylamino)-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate.
Chemical Property Profile of methyl 2-(3-benzylureido)-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate
Property Insights of methyl 2-(3-benzylureido)-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate
The XLogP value of 3.7077 indicates that methyl 2-(3-benzylureido)-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.66 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(3-benzylureido)-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-(3-benzylureido)-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate has 2 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 2-(3-benzylureido)-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate?
The CAS number of methyl 2-(3-benzylureido)-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate is 893676-85-2.
What is the molecular formula of methyl 2-(3-benzylureido)-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate?
The molecular formula of methyl 2-(3-benzylureido)-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate is C19H22N2O4S.
What is the molecular weight of methyl 2-(3-benzylureido)-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate?
The molecular weight of methyl 2-(3-benzylureido)-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate is 374.13 g/mol.
Where can I buy methyl 2-(3-benzylureido)-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate?
You can request a quote for methyl 2-(3-benzylureido)-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]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 2-(3-benzylureido)-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(3-benzylureido)-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.