![methyl 2-(3-(pyridin-2-ylmethyl)ureido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate structure](/static/products/904/904510-63-0.png)
methyl 2-(3-(pyridin-2-ylmethyl)ureido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
TL;DR: methyl 2-(3-(pyridin-2-ylmethyl)ureido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate (CAS 904510-63-0) is a chemical compound with molecular formula C16H17N3O3S and molecular weight 331.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(pyridin-2-ylmethylcarbamoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: methyl 2-(3-(pyridin-2-ylmethyl)ureido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, methyl 2-(pyridin-2-ylmethylcarbamoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, methyl 2-{[(pyridin-2-ylmethyl)carbamoyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
| Molecular Formula | C16H17N3O3S |
|---|---|
| Molecular Weight | 331.10 g/mol |
| LogP | 2.7401 |
| Topological Polar Surface Area | 80.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.09906 |
| Heavy Atoms | 23 |
| Complexity | 727.67175 |
Chemical Identifiers
| CAS Number | 904510-63-0 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCC2)NC(=O)NCC3=CC=CC=N3 |
Product Overview
methyl 2-(3-(pyridin-2-ylmethyl)ureido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate (CAS 904510-63-0), with molecular formula C16H17N3O3S and molecular weight 331.10 g/mol. IUPAC: methyl 2-(pyridin-2-ylmethylcarbamoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of methyl 2-(3-(pyridin-2-ylmethyl)ureido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Property Insights of methyl 2-(3-(pyridin-2-ylmethyl)ureido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
The XLogP value of 2.7401 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-(3-(pyridin-2-ylmethyl)ureido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate. The TPSA of 80.32 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(3-(pyridin-2-ylmethyl)ureido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-(3-(pyridin-2-ylmethyl)ureido)-5,6-dihydro-4H-cyclopenta[b]thiophene-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-(pyridin-2-ylmethyl)ureido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The CAS number of methyl 2-(3-(pyridin-2-ylmethyl)ureido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is 904510-63-0.
What is the molecular formula of methyl 2-(3-(pyridin-2-ylmethyl)ureido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The molecular formula of methyl 2-(3-(pyridin-2-ylmethyl)ureido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is C16H17N3O3S.
What is the molecular weight of methyl 2-(3-(pyridin-2-ylmethyl)ureido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The molecular weight of methyl 2-(3-(pyridin-2-ylmethyl)ureido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is 331.10 g/mol.
Where can I buy methyl 2-(3-(pyridin-2-ylmethyl)ureido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
You can request a quote for methyl 2-(3-(pyridin-2-ylmethyl)ureido)-5,6-dihydro-4H-cyclopenta[b]thiophene-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-(pyridin-2-ylmethyl)ureido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(3-(pyridin-2-ylmethyl)ureido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.