BAS 00114713
TL;DR: BAS 00114713 (CAS 6638-59-1) is a chemical compound with molecular formula C19H21F2N3O4S and molecular weight 425.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[[4-(difluoromethylsulfonyl)phenyl]diazenyl]-N-ethylanilino]ethyl acetate
Also Known As: BAS 00114713, 2-[4-((E)-{4-[(difluoromethyl)sulfonyl]phenyl}diazenyl)(ethyl)anilino]ethyl acetate, 2-[4-[[4-(difluoromethylsulfonyl)phenyl]diazenyl]-N-ethylanilino]ethyl acetate, Ethanol, 2-[[4-[2-[4-[(difluoromethyl)sulfonyl]phenyl]diazenyl]phenyl]ethylamino]-, 1-acetate
| Molecular Formula | C19H21F2N3O4S |
|---|---|
| Molecular Weight | 425.12 g/mol |
| LogP | 4.4877 |
| Topological Polar Surface Area | 88.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 425.12207 |
| Heavy Atoms | 29 |
| Complexity | 946.4245 |
Chemical Identifiers
| CAS Number | 6638-59-1 |
|---|---|
| SMILES | CCN(CCOC(=O)C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)S(=O)(=O)C(F)F |
Product Overview
BAS 00114713 (CAS 6638-59-1), with molecular formula C19H21F2N3O4S and molecular weight 425.12 g/mol. IUPAC: 2-[4-[[4-(difluoromethylsulfonyl)phenyl]diazenyl]-N-ethylanilino]ethyl acetate.
Chemical Property Profile of BAS 00114713
Property Insights of BAS 00114713
The XLogP value of 4.4877 indicates that BAS 00114713 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.4 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00114713. Following Lipinski's Rule of Five, BAS 00114713 has 0 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 BAS 00114713?
The CAS number of BAS 00114713 is 6638-59-1.
What is the molecular formula of BAS 00114713?
The molecular formula of BAS 00114713 is C19H21F2N3O4S.
What is the molecular weight of BAS 00114713?
The molecular weight of BAS 00114713 is 425.12 g/mol.
Where can I buy BAS 00114713?
You can request a quote for BAS 00114713 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00114713?
Yes, KEHONG BIO provides custom synthesis services for BAS 00114713 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.