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[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl thiophene-2-carboxylate
TL;DR: [(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl thiophene-2-carboxylate (CAS 380179-93-1) is a chemical compound with molecular formula C14H11NO5S and molecular weight 305.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] thiophene-2-carboxylate
Also Known As: starbld0004949, [(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl thiophene-2-carboxylate, 2-(benzo[d][1,3]dioxol-5-ylamino)-2-oxoethyl thiophene-2-carboxylate, F6609-3562, [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] thiophene-2-carboxylate
| Molecular Formula | C14H11NO5S |
|---|---|
| Molecular Weight | 305.04 g/mol |
| LogP | 2.2723 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 305.0358 |
| Heavy Atoms | 21 |
| Complexity | 668.00885 |
Chemical Identifiers
| CAS Number | 380179-93-1 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)C3=CC=CS3 |
Product Overview
[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl thiophene-2-carboxylate (CAS 380179-93-1), with molecular formula C14H11NO5S and molecular weight 305.04 g/mol. IUPAC: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] thiophene-2-carboxylate.
Chemical Property Profile of [(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl thiophene-2-carboxylate
Property Insights of [(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl thiophene-2-carboxylate
The XLogP value of 2.2723 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl thiophene-2-carboxylate. The TPSA of 73.86 Ų falls within the moderate polarity range, balancing permeability and solubility for [(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl thiophene-2-carboxylate. Following Lipinski's Rule of Five, [(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl thiophene-2-carboxylate has 1 hydrogen bond donor(s) and 6 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 [(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl thiophene-2-carboxylate?
The CAS number of [(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl thiophene-2-carboxylate is 380179-93-1.
What is the molecular formula of [(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl thiophene-2-carboxylate?
The molecular formula of [(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl thiophene-2-carboxylate is C14H11NO5S.
What is the molecular weight of [(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl thiophene-2-carboxylate?
The molecular weight of [(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl thiophene-2-carboxylate is 305.04 g/mol.
Where can I buy [(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl thiophene-2-carboxylate?
You can request a quote for [(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl 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 [(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for [(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.