![2-[[4-[(Difluoromethyl)thio]phenyl]amino]-2-oxoethyl 1-naphthalenecarboxylate structure](/static/products/7330/733004-30-3.webp)
2-[[4-[(Difluoromethyl)thio]phenyl]amino]-2-oxoethyl 1-naphthalenecarboxylate
TL;DR: 2-[[4-[(Difluoromethyl)thio]phenyl]amino]-2-oxoethyl 1-naphthalenecarboxylate (CAS 733004-30-3) is a chemical compound with molecular formula C20H15F2NO3S and molecular weight 387.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl] naphthalene-1-carboxylate
Also Known As: AB00718623-01, 2-[[4-[(Difluoromethyl)thio]phenyl]amino]-2-oxoethyl 1-naphthalenecarboxylate, [2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl] naphthalene-1-carboxylate, 2-{4-[(Difluoromethyl)sulfanyl]anilino}-2-oxoethyl naphthalene-1-carboxylate
| Molecular Formula | C20H15F2NO3S |
|---|---|
| Molecular Weight | 387.07 g/mol |
| LogP | 4.95 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 387.07407 |
| Heavy Atoms | 27 |
| Complexity | 955.60785 |
Chemical Identifiers
| CAS Number | 733004-30-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC=C2C(=O)OCC(=O)NC3=CC=C(C=C3)SC(F)F |
Product Overview
2-[[4-[(Difluoromethyl)thio]phenyl]amino]-2-oxoethyl 1-naphthalenecarboxylate (CAS 733004-30-3), with molecular formula C20H15F2NO3S and molecular weight 387.07 g/mol. IUPAC: [2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl] naphthalene-1-carboxylate.
Chemical Property Profile of 2-[[4-[(Difluoromethyl)thio]phenyl]amino]-2-oxoethyl 1-naphthalenecarboxylate
Property Insights of 2-[[4-[(Difluoromethyl)thio]phenyl]amino]-2-oxoethyl 1-naphthalenecarboxylate
The XLogP value of 4.95 indicates that 2-[[4-[(Difluoromethyl)thio]phenyl]amino]-2-oxoethyl 1-naphthalenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, 2-[[4-[(Difluoromethyl)thio]phenyl]amino]-2-oxoethyl 1-naphthalenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[[4-[(Difluoromethyl)thio]phenyl]amino]-2-oxoethyl 1-naphthalenecarboxylate has 1 hydrogen bond donor(s) and 4 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 2-[[4-[(Difluoromethyl)thio]phenyl]amino]-2-oxoethyl 1-naphthalenecarboxylate?
The CAS number of 2-[[4-[(Difluoromethyl)thio]phenyl]amino]-2-oxoethyl 1-naphthalenecarboxylate is 733004-30-3.
What is the molecular formula of 2-[[4-[(Difluoromethyl)thio]phenyl]amino]-2-oxoethyl 1-naphthalenecarboxylate?
The molecular formula of 2-[[4-[(Difluoromethyl)thio]phenyl]amino]-2-oxoethyl 1-naphthalenecarboxylate is C20H15F2NO3S.
What is the molecular weight of 2-[[4-[(Difluoromethyl)thio]phenyl]amino]-2-oxoethyl 1-naphthalenecarboxylate?
The molecular weight of 2-[[4-[(Difluoromethyl)thio]phenyl]amino]-2-oxoethyl 1-naphthalenecarboxylate is 387.07 g/mol.
Where can I buy 2-[[4-[(Difluoromethyl)thio]phenyl]amino]-2-oxoethyl 1-naphthalenecarboxylate?
You can request a quote for 2-[[4-[(Difluoromethyl)thio]phenyl]amino]-2-oxoethyl 1-naphthalenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[4-[(Difluoromethyl)thio]phenyl]amino]-2-oxoethyl 1-naphthalenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-[[4-[(Difluoromethyl)thio]phenyl]amino]-2-oxoethyl 1-naphthalenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.