1,1-二氟乙烯
TL;DR: 1,1-二氟乙烯 (CAS 75-38-7) is a chemical compound with molecular formula C12H16N2O3S and molecular weight 268.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-二氟乙烯
methyl 2-acetamido-3-(4-aminophenyl)sulfanylpropanoate
Also Known As: methyl n-acetyl-s-(4-aminophenyl)cysteinate, methyl 2-acetamido-3-(4-aminophenyl)sulfanyl-propanoate, methyl 2-acetamido-3-(4-aminophenyl)sulfanylpropanoate, 2-acetamido-3-[(4-aminophenyl)thio]propanoic acid methyl ester
| Molecular Formula | C12H16N2O3S |
|---|---|
| Molecular Weight | 268.09 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 268.08817 |
| Heavy Atoms | 18 |
| Complexity | 291.0 |
Chemical Identifiers
| CAS Number | 75-38-7 |
|---|---|
| SMILES | CC(=O)NC(CSC1=CC=C(C=C1)N)C(=O)OC |
| InChIKey | HFMHZIYNQKLNIO-UHFFFAOYSA-N |
Product Overview
1,1-二氟乙烯 (CAS 75-38-7), with molecular formula C12H16N2O3S and molecular weight 268.09 g/mol. IUPAC: methyl 2-acetamido-3-(4-aminophenyl)sulfanylpropanoate.
Chemical Property Profile of 1,1-二氟乙烯
Property Insights of 1,1-二氟乙烯
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-二氟乙烯. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1-二氟乙烯. Following Lipinski's Rule of Five, 1,1-二氟乙烯 has 2 hydrogen bond donor(s) and 5 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 1,1-二氟乙烯?
The CAS number of 1,1-二氟乙烯 is 75-38-7.
What is the molecular formula of 1,1-二氟乙烯?
The molecular formula of 1,1-二氟乙烯 is C12H16N2O3S.
What is the molecular weight of 1,1-二氟乙烯?
The molecular weight of 1,1-二氟乙烯 is 268.09 g/mol.
Where can I buy 1,1-二氟乙烯?
You can request a quote for 1,1-二氟乙烯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-二氟乙烯?
Yes, KEHONG BIO provides custom synthesis services for 1,1-二氟乙烯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.