![METHYL 2-(2-CHLORO-6-FLUOROBENZAMIDO)-4H,5H-NAPHTHO[2,1-B]THIOPHENE-1-CARBOXYLATE structure](/static/products/4381/438196-78-2.webp)
METHYL 2-(2-CHLORO-6-FLUOROBENZAMIDO)-4H,5H-NAPHTHO[2,1-B]THIOPHENE-1-CARBOXYLATE
TL;DR: METHYL 2-(2-CHLORO-6-FLUOROBENZAMIDO)-4H,5H-NAPHTHO[2,1-B]THIOPHENE-1-CARBOXYLATE (CAS 438196-78-2) is a chemical compound with molecular formula C21H15ClFNO3S and molecular weight 415.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(2-chloro-6-fluorobenzoyl)amino]-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate
Also Known As: METHYL 2-(2-CHLORO-6-FLUOROBENZAMIDO)-4H,5H-NAPHTHO[2,1-B]THIOPHENE-1-CARBOXYLATE, methyl 2-(2-chloro-6-fluorobenzamido)-4,5-dihydronaphtho[2,1-b]thiophene-1-carboxylate, methyl 2-[(2-chloro-6-fluorobenzoyl)amino]-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate, methyl 2-[(2-chloro-6-fluorobenzoyl)amino]-4,5-dihydronaphtho[2,1-b]thiophene-1-carboxylate, methyl 2-[(2-chloro-6-fluorophenyl)carbonylamino]-4,5-dihydrobenzo[e]benzo[b]t hiophenecarboxylate
| Molecular Formula | C21H15ClFNO3S |
|---|---|
| Molecular Weight | 415.04 g/mol |
| LogP | 5.3451 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 415.04453 |
| Heavy Atoms | 28 |
| Complexity | 1088.7753 |
Chemical Identifiers
| CAS Number | 438196-78-2 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1C3=CC=CC=C3CC2)NC(=O)C4=C(C=CC=C4Cl)F |
Product Overview
METHYL 2-(2-CHLORO-6-FLUOROBENZAMIDO)-4H,5H-NAPHTHO[2,1-B]THIOPHENE-1-CARBOXYLATE (CAS 438196-78-2), with molecular formula C21H15ClFNO3S and molecular weight 415.04 g/mol. IUPAC: methyl 2-[(2-chloro-6-fluorobenzoyl)amino]-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate.
Chemical Property Profile of METHYL 2-(2-CHLORO-6-FLUOROBENZAMIDO)-4H,5H-NAPHTHO[2,1-B]THIOPHENE-1-CARBOXYLATE
Property Insights of METHYL 2-(2-CHLORO-6-FLUOROBENZAMIDO)-4H,5H-NAPHTHO[2,1-B]THIOPHENE-1-CARBOXYLATE
The XLogP value of 5.3451 indicates that METHYL 2-(2-CHLORO-6-FLUOROBENZAMIDO)-4H,5H-NAPHTHO[2,1-B]THIOPHENE-1-CARBOXYLATE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, METHYL 2-(2-CHLORO-6-FLUOROBENZAMIDO)-4H,5H-NAPHTHO[2,1-B]THIOPHENE-1-CARBOXYLATE exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, METHYL 2-(2-CHLORO-6-FLUOROBENZAMIDO)-4H,5H-NAPHTHO[2,1-B]THIOPHENE-1-CARBOXYLATE has 1 hydrogen bond donor(s) and 4 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-(2-CHLORO-6-FLUOROBENZAMIDO)-4H,5H-NAPHTHO[2,1-B]THIOPHENE-1-CARBOXYLATE?
The CAS number of METHYL 2-(2-CHLORO-6-FLUOROBENZAMIDO)-4H,5H-NAPHTHO[2,1-B]THIOPHENE-1-CARBOXYLATE is 438196-78-2.
What is the molecular formula of METHYL 2-(2-CHLORO-6-FLUOROBENZAMIDO)-4H,5H-NAPHTHO[2,1-B]THIOPHENE-1-CARBOXYLATE?
The molecular formula of METHYL 2-(2-CHLORO-6-FLUOROBENZAMIDO)-4H,5H-NAPHTHO[2,1-B]THIOPHENE-1-CARBOXYLATE is C21H15ClFNO3S.
What is the molecular weight of METHYL 2-(2-CHLORO-6-FLUOROBENZAMIDO)-4H,5H-NAPHTHO[2,1-B]THIOPHENE-1-CARBOXYLATE?
The molecular weight of METHYL 2-(2-CHLORO-6-FLUOROBENZAMIDO)-4H,5H-NAPHTHO[2,1-B]THIOPHENE-1-CARBOXYLATE is 415.04 g/mol.
Where can I buy METHYL 2-(2-CHLORO-6-FLUOROBENZAMIDO)-4H,5H-NAPHTHO[2,1-B]THIOPHENE-1-CARBOXYLATE?
You can request a quote for METHYL 2-(2-CHLORO-6-FLUOROBENZAMIDO)-4H,5H-NAPHTHO[2,1-B]THIOPHENE-1-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-(2-CHLORO-6-FLUOROBENZAMIDO)-4H,5H-NAPHTHO[2,1-B]THIOPHENE-1-CARBOXYLATE?
Yes, KEHONG BIO provides custom synthesis services for METHYL 2-(2-CHLORO-6-FLUOROBENZAMIDO)-4H,5H-NAPHTHO[2,1-B]THIOPHENE-1-CARBOXYLATE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.