![2-(N'-benzylthioureido)-3-ethoxycarbonyl-7,7-dimethyl-7,8-dihydro-5h-pyrano[4,3-b]pyridine structure](/static/products/303/303965-56-2.png)
2-(N'-benzylthioureido)-3-ethoxycarbonyl-7,7-dimethyl-7,8-dihydro-5h-pyrano[4,3-b]pyridine
TL;DR: 2-(N'-benzylthioureido)-3-ethoxycarbonyl-7,7-dimethyl-7,8-dihydro-5h-pyrano[4,3-b]pyridine (CAS 303965-56-2) is a chemical compound with molecular formula C21H25N3O3S and molecular weight 399.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(benzylcarbamothioylamino)-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carboxylate
Also Known As: 2-(N'-benzylthioureido)-3-ethoxycarbonyl-7,7-dimethyl-7,8-dihydro-5h-pyrano[4,3-b]pyridine, ethyl 2-(3-benzylthioureido)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxylate, ethyl 2-(benzylcarbamothioylamino)-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carboxylate, ethyl 2-[(benzylcarbamothioyl)amino]-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxylate
| Molecular Formula | C21H25N3O3S |
|---|---|
| Molecular Weight | 399.16 g/mol |
| LogP | 3.5962 |
| Topological Polar Surface Area | 72.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 399.16165 |
| Heavy Atoms | 28 |
| Complexity | 868.6996 |
Chemical Identifiers
| CAS Number | 303965-56-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2CC(OCC2=C1)(C)C)NC(=S)NCC3=CC=CC=C3 |
Product Overview
2-(N'-benzylthioureido)-3-ethoxycarbonyl-7,7-dimethyl-7,8-dihydro-5h-pyrano[4,3-b]pyridine (CAS 303965-56-2), with molecular formula C21H25N3O3S and molecular weight 399.16 g/mol. IUPAC: ethyl 2-(benzylcarbamothioylamino)-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carboxylate.
Chemical Property Profile of 2-(N'-benzylthioureido)-3-ethoxycarbonyl-7,7-dimethyl-7,8-dihydro-5h-pyrano[4,3-b]pyridine
Property Insights of 2-(N'-benzylthioureido)-3-ethoxycarbonyl-7,7-dimethyl-7,8-dihydro-5h-pyrano[4,3-b]pyridine
The XLogP value of 3.5962 indicates that 2-(N'-benzylthioureido)-3-ethoxycarbonyl-7,7-dimethyl-7,8-dihydro-5h-pyrano[4,3-b]pyridine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(N'-benzylthioureido)-3-ethoxycarbonyl-7,7-dimethyl-7,8-dihydro-5h-pyrano[4,3-b]pyridine. Following Lipinski's Rule of Five, 2-(N'-benzylthioureido)-3-ethoxycarbonyl-7,7-dimethyl-7,8-dihydro-5h-pyrano[4,3-b]pyridine 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 2-(N'-benzylthioureido)-3-ethoxycarbonyl-7,7-dimethyl-7,8-dihydro-5h-pyrano[4,3-b]pyridine?
The CAS number of 2-(N'-benzylthioureido)-3-ethoxycarbonyl-7,7-dimethyl-7,8-dihydro-5h-pyrano[4,3-b]pyridine is 303965-56-2.
What is the molecular formula of 2-(N'-benzylthioureido)-3-ethoxycarbonyl-7,7-dimethyl-7,8-dihydro-5h-pyrano[4,3-b]pyridine?
The molecular formula of 2-(N'-benzylthioureido)-3-ethoxycarbonyl-7,7-dimethyl-7,8-dihydro-5h-pyrano[4,3-b]pyridine is C21H25N3O3S.
What is the molecular weight of 2-(N'-benzylthioureido)-3-ethoxycarbonyl-7,7-dimethyl-7,8-dihydro-5h-pyrano[4,3-b]pyridine?
The molecular weight of 2-(N'-benzylthioureido)-3-ethoxycarbonyl-7,7-dimethyl-7,8-dihydro-5h-pyrano[4,3-b]pyridine is 399.16 g/mol.
Where can I buy 2-(N'-benzylthioureido)-3-ethoxycarbonyl-7,7-dimethyl-7,8-dihydro-5h-pyrano[4,3-b]pyridine?
You can request a quote for 2-(N'-benzylthioureido)-3-ethoxycarbonyl-7,7-dimethyl-7,8-dihydro-5h-pyrano[4,3-b]pyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(N'-benzylthioureido)-3-ethoxycarbonyl-7,7-dimethyl-7,8-dihydro-5h-pyrano[4,3-b]pyridine?
Yes, KEHONG BIO provides custom synthesis services for 2-(N'-benzylthioureido)-3-ethoxycarbonyl-7,7-dimethyl-7,8-dihydro-5h-pyrano[4,3-b]pyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.