NCI60_026271
TL;DR: NCI60_026271 (CAS 75988-12-4) is a chemical compound with molecular formula C17H16F9NO4S and molecular weight 501.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[4-(dimethylamino)phenyl]-2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)prop-2-enoate
Also Known As: NCI60_026271, Ethyl 3-[4-(dimethylamino)phenyl]-2-(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl)prop-2-enoate, ethyl 3-[4-(dimethylamino)phenyl]-2-[(nonafluorobutyl)sulfonyl]prop-2-enoate, ethyl 3-(4-dimethylaminophenyl)-2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)prop-2-enoate
| Molecular Formula | C17H16F9NO4S |
|---|---|
| Molecular Weight | 501.07 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 9 |
| Exact Mass | 501.06564 |
| Heavy Atoms | 32 |
| Complexity | 809.0 |
Chemical Identifiers
| CAS Number | 75988-12-4 |
|---|---|
| SMILES | CCOC(=O)C(=CC1=CC=C(C=C1)N(C)C)S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F |
| InChIKey | YJYBQFZUOVGCIU-UHFFFAOYSA-N |
Product Overview
NCI60_026271 (CAS 75988-12-4), with molecular formula C17H16F9NO4S and molecular weight 501.07 g/mol. IUPAC: ethyl 3-[4-(dimethylamino)phenyl]-2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)prop-2-enoate.
Chemical Property Profile of NCI60_026271
Property Insights of NCI60_026271
The XLogP value of 5.4 indicates that NCI60_026271 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_026271. Following Lipinski's Rule of Five, NCI60_026271 has 0 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of NCI60_026271?
The CAS number of NCI60_026271 is 75988-12-4.
What is the molecular formula of NCI60_026271?
The molecular formula of NCI60_026271 is C17H16F9NO4S.
What is the molecular weight of NCI60_026271?
The molecular weight of NCI60_026271 is 501.07 g/mol.
Where can I buy NCI60_026271?
You can request a quote for NCI60_026271 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_026271?
Yes, KEHONG BIO provides custom synthesis services for NCI60_026271 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.