4-fluoro-3-methylphenyl carbonochloridate
TL;DR: 4-fluoro-3-methylphenyl carbonochloridate (CAS 515150-76-2) is a chemical compound with molecular formula C19H20ClN3O6S and molecular weight 453.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[(5-chloro-2-nitrobenzoyl)amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
Also Known As: 4-fluoro-3-methylphenyl carbonochloridate, isopropyl 2-({5-chloro-2-nitrobenzoyl}amino)-5-[(dimethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate, propan-2-yl 2-[(5-chloro-2-nitrobenzoyl)amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate, ISOPROPYL 2-(5-CHLORO-2-NITROBENZAMIDO)-5-(DIMETHYLCARBAMOYL)-4-METHYLTHIOPHENE-3-CARBOXYLATE, methylethyl 5-(N,N-dimethylcarbamoyl)-2-[(5-chloro-2-nitrophenyl)carbonylamino ]-4-methylthiophene-3-carboxylate
| Molecular Formula | C19H20ClN3O6S |
|---|---|
| Molecular Weight | 453.08 g/mol |
| LogP | 4.13742 |
| Topological Polar Surface Area | 118.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 453.07614 |
| Heavy Atoms | 30 |
| Complexity | 1031.5173 |
Chemical Identifiers
| CAS Number | 515150-76-2 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-])C(=O)N(C)C |
Product Overview
4-fluoro-3-methylphenyl carbonochloridate (CAS 515150-76-2), with molecular formula C19H20ClN3O6S and molecular weight 453.08 g/mol. IUPAC: propan-2-yl 2-[(5-chloro-2-nitrobenzoyl)amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate.
Chemical Property Profile of 4-fluoro-3-methylphenyl carbonochloridate
Property Insights of 4-fluoro-3-methylphenyl carbonochloridate
The XLogP value of 4.13742 indicates that 4-fluoro-3-methylphenyl carbonochloridate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-fluoro-3-methylphenyl carbonochloridate. Following Lipinski's Rule of Five, 4-fluoro-3-methylphenyl carbonochloridate has 1 hydrogen bond donor(s) and 7 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 4-fluoro-3-methylphenyl carbonochloridate?
The CAS number of 4-fluoro-3-methylphenyl carbonochloridate is 515150-76-2.
What is the molecular formula of 4-fluoro-3-methylphenyl carbonochloridate?
The molecular formula of 4-fluoro-3-methylphenyl carbonochloridate is C19H20ClN3O6S.
What is the molecular weight of 4-fluoro-3-methylphenyl carbonochloridate?
The molecular weight of 4-fluoro-3-methylphenyl carbonochloridate is 453.08 g/mol.
Where can I buy 4-fluoro-3-methylphenyl carbonochloridate?
You can request a quote for 4-fluoro-3-methylphenyl carbonochloridate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-fluoro-3-methylphenyl carbonochloridate?
Yes, KEHONG BIO provides custom synthesis services for 4-fluoro-3-methylphenyl carbonochloridate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.