![methyl 2-[({3-chloro-6-nitro-1-benzothien-2-yl}carbonyl)amino]-4-(2-naphthyl)-3-thiophenecarboxylate structure](/static/products/5158/515872-90-9.webp)
methyl 2-[({3-chloro-6-nitro-1-benzothien-2-yl}carbonyl)amino]-4-(2-naphthyl)-3-thiophenecarboxylate
TL;DR: methyl 2-[({3-chloro-6-nitro-1-benzothien-2-yl}carbonyl)amino]-4-(2-naphthyl)-3-thiophenecarboxylate (CAS 515872-90-9) is a chemical compound with molecular formula C25H15ClN2O5S2 and molecular weight 522.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)amino]-4-naphthalen-2-ylthiophene-3-carboxylate
Also Known As: methyl 2-[({3-chloro-6-nitro-1-benzothien-2-yl}carbonyl)amino]-4-(2-naphthyl)-3-thiophenecarboxylate, methyl 2-[(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)amino]-4-naphthalen-2-ylthiophene-3-carboxylate, methyl 2-(3-chloro-6-nitrobenzo[b]thiophene-2-carboxamido)-4-(naphthalen-2-yl)thiophene-3-carboxylate, methyl 2-[(3-chloro-6-nitrobenzo[b]thiophen-2-yl)carbonylamino]-4-(2-naphthyl) thiophene-3-carboxylate, methyl 2-{[(3-chloro-6-nitro-1-benzothiophen-2-yl)carbonyl]amino}-4-(naphthalen-2-yl)thiophene-3-carboxylate
| Molecular Formula | C25H15ClN2O5S2 |
|---|---|
| Molecular Weight | 522.01 g/mol |
| LogP | 7.3835 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 522.0111 |
| Heavy Atoms | 35 |
| Complexity | 1656.7633 |
Chemical Identifiers
| CAS Number | 515872-90-9 |
|---|---|
| SMILES | COC(=O)C1=C(SC=C1C2=CC3=CC=CC=C3C=C2)NC(=O)C4=C(C5=C(S4)C=C(C=C5)[N+](=O)[O-])Cl |
Product Overview
methyl 2-[({3-chloro-6-nitro-1-benzothien-2-yl}carbonyl)amino]-4-(2-naphthyl)-3-thiophenecarboxylate (CAS 515872-90-9), with molecular formula C25H15ClN2O5S2 and molecular weight 522.01 g/mol. IUPAC: methyl 2-[(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)amino]-4-naphthalen-2-ylthiophene-3-carboxylate.
Chemical Property Profile of methyl 2-[({3-chloro-6-nitro-1-benzothien-2-yl}carbonyl)amino]-4-(2-naphthyl)-3-thiophenecarboxylate
Property Insights of methyl 2-[({3-chloro-6-nitro-1-benzothien-2-yl}carbonyl)amino]-4-(2-naphthyl)-3-thiophenecarboxylate
The XLogP value of 7.3835 indicates that methyl 2-[({3-chloro-6-nitro-1-benzothien-2-yl}carbonyl)amino]-4-(2-naphthyl)-3-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-[({3-chloro-6-nitro-1-benzothien-2-yl}carbonyl)amino]-4-(2-naphthyl)-3-thiophenecarboxylate. Following Lipinski's Rule of Five, methyl 2-[({3-chloro-6-nitro-1-benzothien-2-yl}carbonyl)amino]-4-(2-naphthyl)-3-thiophenecarboxylate has 1 hydrogen bond donor(s) and 7 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-[({3-chloro-6-nitro-1-benzothien-2-yl}carbonyl)amino]-4-(2-naphthyl)-3-thiophenecarboxylate?
The CAS number of methyl 2-[({3-chloro-6-nitro-1-benzothien-2-yl}carbonyl)amino]-4-(2-naphthyl)-3-thiophenecarboxylate is 515872-90-9.
What is the molecular formula of methyl 2-[({3-chloro-6-nitro-1-benzothien-2-yl}carbonyl)amino]-4-(2-naphthyl)-3-thiophenecarboxylate?
The molecular formula of methyl 2-[({3-chloro-6-nitro-1-benzothien-2-yl}carbonyl)amino]-4-(2-naphthyl)-3-thiophenecarboxylate is C25H15ClN2O5S2.
What is the molecular weight of methyl 2-[({3-chloro-6-nitro-1-benzothien-2-yl}carbonyl)amino]-4-(2-naphthyl)-3-thiophenecarboxylate?
The molecular weight of methyl 2-[({3-chloro-6-nitro-1-benzothien-2-yl}carbonyl)amino]-4-(2-naphthyl)-3-thiophenecarboxylate is 522.01 g/mol.
Where can I buy methyl 2-[({3-chloro-6-nitro-1-benzothien-2-yl}carbonyl)amino]-4-(2-naphthyl)-3-thiophenecarboxylate?
You can request a quote for methyl 2-[({3-chloro-6-nitro-1-benzothien-2-yl}carbonyl)amino]-4-(2-naphthyl)-3-thiophenecarboxylate 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-chloro-6-nitro-1-benzothien-2-yl}carbonyl)amino]-4-(2-naphthyl)-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[({3-chloro-6-nitro-1-benzothien-2-yl}carbonyl)amino]-4-(2-naphthyl)-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.