IN 2001
TL;DR: IN 2001 (CAS 617690-98-9) is a chemical compound with molecular formula C19H21N3O3 and molecular weight 339.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(dimethylamino)-N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl]benzamide
Also Known As: IN 2001, SK 7041, SID:53787174, 4-(dimethylamino)-N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl]benzamide, 4-dimethylamino-n-[4-(2-hydroxycarbamoylvinyl)benzyl]benzamide
| Molecular Formula | C19H21N3O3 |
|---|---|
| Molecular Weight | 339.16 g/mol |
| LogP | 2.2012 |
| Topological Polar Surface Area | 81.67 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 339.1583 |
| Heavy Atoms | 25 |
| Complexity | 750.4887 |
Chemical Identifiers
| CAS Number | 617690-98-9 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C(=O)NCC2=CC=C(C=C2)/C=C/C(=O)NO |
Product Overview
IN 2001 (CAS 617690-98-9), with molecular formula C19H21N3O3 and molecular weight 339.16 g/mol. IUPAC: 4-(dimethylamino)-N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl]benzamide.
Chemical Property Profile of IN 2001
Property Insights of IN 2001
The XLogP value of 2.2012 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IN 2001. The TPSA of 81.67 Ų falls within the moderate polarity range, balancing permeability and solubility for IN 2001. Following Lipinski's Rule of Five, IN 2001 has 3 hydrogen bond donor(s) and 4 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 IN 2001?
The CAS number of IN 2001 is 617690-98-9.
What is the molecular formula of IN 2001?
The molecular formula of IN 2001 is C19H21N3O3.
What is the molecular weight of IN 2001?
The molecular weight of IN 2001 is 339.16 g/mol.
Where can I buy IN 2001?
You can request a quote for IN 2001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IN 2001?
Yes, KEHONG BIO provides custom synthesis services for IN 2001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.