SMK17
TL;DR: SMK17 (CAS 765958-29-0) is a chemical compound with molecular formula C20H24ClF2IN4O2S and molecular weight 584.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(2-chloro-4-iodoanilino)-3,4-difluorophenyl]-4-(propan-2-ylamino)piperidine-1-sulfonamide
Also Known As: SMK17, J3.557.198A, N-(2-((2-chloro-4-iodophenyl)amino)-3,4-difluorophenyl)-4-(isopropylamino)piperidine-1-sulfonamide, N-[2-(2-chloro-4-iodoanilino)-3,4-difluorophenyl]-4-(propan-2-ylamino)piperidine-1-sulfonamide, N-[2-[(2-Chloro-4-iodophenyl)amino]-3,4-difluorophenyl]-4-(isopropylamino)piperidine-1-sulfonamide
| Molecular Formula | C20H24ClF2IN4O2S |
|---|---|
| Molecular Weight | 584.03 g/mol |
| LogP | 5.0855 |
| Topological Polar Surface Area | 73.47 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 584.0321 |
| Heavy Atoms | 31 |
| Complexity | 1047.7156 |
Chemical Identifiers
| CAS Number | 765958-29-0 |
|---|---|
| SMILES | CC(C)NC1CCN(CC1)S(=O)(=O)NC2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl |
Product Overview
SMK17 (CAS 765958-29-0), with molecular formula C20H24ClF2IN4O2S and molecular weight 584.03 g/mol. IUPAC: N-[2-(2-chloro-4-iodoanilino)-3,4-difluorophenyl]-4-(propan-2-ylamino)piperidine-1-sulfonamide.
Chemical Property Profile of SMK17
Property Insights of SMK17
The XLogP value of 5.0855 indicates that SMK17 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.47 Ų falls within the moderate polarity range, balancing permeability and solubility for SMK17. Following Lipinski's Rule of Five, SMK17 has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of SMK17?
The CAS number of SMK17 is 765958-29-0.
What is the molecular formula of SMK17?
The molecular formula of SMK17 is C20H24ClF2IN4O2S.
What is the molecular weight of SMK17?
The molecular weight of SMK17 is 584.03 g/mol.
Where can I buy SMK17?
You can request a quote for SMK17 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SMK17?
Yes, KEHONG BIO provides custom synthesis services for SMK17 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.