methyl 2-(1,3-benzodioxole-5-carbonylamino)-4-naphthalen-2-ylthiophene-3-carboxylate
TL;DR: methyl 2-(1,3-benzodioxole-5-carbonylamino)-4-naphthalen-2-ylthiophene-3-carboxylate (CAS 444932-06-3) is a chemical compound with molecular formula C24H17NO5S and molecular weight 431.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(1,3-benzodioxole-5-carbonylamino)-4-naphthalen-2-ylthiophene-3-carboxylate
Also Known As: methyl 2-(1,3-benzodioxole-5-carbonylamino)-4-naphthalen-2-ylthiophene-3-carboxylate, methyl 2-[(1,3-benzodioxol-5-ylcarbonyl)amino]-4-(2-naphthyl)thiophene-3-carboxylate, methyl 2-[(1,3-benzodioxol-5-ylcarbonyl)amino]-4-(naphthalen-2-yl)thiophene-3-carboxylate, methyl 2-(2H-benzo[3,4-d]1,3-dioxolan-5-ylcarbonylamino)-4-(2-naphthyl)thiophe ne-3-carboxylate
| Molecular Formula | C24H17NO5S |
|---|---|
| Molecular Weight | 431.08 g/mol |
| LogP | 5.3359 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 431.08273 |
| Heavy Atoms | 31 |
| Complexity | 1326.8063 |
Chemical Identifiers
| CAS Number | 444932-06-3 |
|---|---|
| SMILES | COC(=O)C1=C(SC=C1C2=CC3=CC=CC=C3C=C2)NC(=O)C4=CC5=C(C=C4)OCO5 |
Product Overview
methyl 2-(1,3-benzodioxole-5-carbonylamino)-4-naphthalen-2-ylthiophene-3-carboxylate (CAS 444932-06-3), with molecular formula C24H17NO5S and molecular weight 431.08 g/mol. IUPAC: methyl 2-(1,3-benzodioxole-5-carbonylamino)-4-naphthalen-2-ylthiophene-3-carboxylate.
Chemical Property Profile of methyl 2-(1,3-benzodioxole-5-carbonylamino)-4-naphthalen-2-ylthiophene-3-carboxylate
Property Insights of methyl 2-(1,3-benzodioxole-5-carbonylamino)-4-naphthalen-2-ylthiophene-3-carboxylate
The XLogP value of 5.3359 indicates that methyl 2-(1,3-benzodioxole-5-carbonylamino)-4-naphthalen-2-ylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.86 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(1,3-benzodioxole-5-carbonylamino)-4-naphthalen-2-ylthiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-(1,3-benzodioxole-5-carbonylamino)-4-naphthalen-2-ylthiophene-3-carboxylate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 2-(1,3-benzodioxole-5-carbonylamino)-4-naphthalen-2-ylthiophene-3-carboxylate?
The CAS number of methyl 2-(1,3-benzodioxole-5-carbonylamino)-4-naphthalen-2-ylthiophene-3-carboxylate is 444932-06-3.
What is the molecular formula of methyl 2-(1,3-benzodioxole-5-carbonylamino)-4-naphthalen-2-ylthiophene-3-carboxylate?
The molecular formula of methyl 2-(1,3-benzodioxole-5-carbonylamino)-4-naphthalen-2-ylthiophene-3-carboxylate is C24H17NO5S.
What is the molecular weight of methyl 2-(1,3-benzodioxole-5-carbonylamino)-4-naphthalen-2-ylthiophene-3-carboxylate?
The molecular weight of methyl 2-(1,3-benzodioxole-5-carbonylamino)-4-naphthalen-2-ylthiophene-3-carboxylate is 431.08 g/mol.
Where can I buy methyl 2-(1,3-benzodioxole-5-carbonylamino)-4-naphthalen-2-ylthiophene-3-carboxylate?
You can request a quote for methyl 2-(1,3-benzodioxole-5-carbonylamino)-4-naphthalen-2-ylthiophene-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-(1,3-benzodioxole-5-carbonylamino)-4-naphthalen-2-ylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(1,3-benzodioxole-5-carbonylamino)-4-naphthalen-2-ylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.