KI 4032
TL;DR: KI 4032 (CAS 138772-59-5) is a chemical compound with molecular formula C11H12N4O2 and molecular weight 232.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(cyanoamino)-pyridin-3-ylmethylidene]amino]ethyl acetate
Also Known As: KI 4032, 2-[[(cyanoamino)-pyridin-3-ylmethylidene]amino]ethyl acetate, 3-Pyridinecarboximidamide, N-(2-(acetyloxy)ethyl)-N'-cyano-, N-(2-acetoxyethyl)-N'-cyano-3-pyridinecarboximidamide, 2-[N'-cyano-1-(pyridin-3-yl)methanimidamido]ethyl acetate
| Molecular Formula | C11H12N4O2 |
|---|---|
| Molecular Weight | 232.10 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 87.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 232.09602 |
| Heavy Atoms | 17 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 138772-59-5 |
|---|---|
| SMILES | CC(=O)OCCN=C(C1=CN=CC=C1)NC#N |
| InChIKey | UOZPWULILFRTCF-UHFFFAOYSA-N |
Product Overview
KI 4032 (CAS 138772-59-5), with molecular formula C11H12N4O2 and molecular weight 232.10 g/mol. IUPAC: 2-[[(cyanoamino)-pyridin-3-ylmethylidene]amino]ethyl acetate.
Chemical Property Profile of KI 4032
Property Insights of KI 4032
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for KI 4032. The TPSA of 87.4 Ų falls within the moderate polarity range, balancing permeability and solubility for KI 4032. Following Lipinski's Rule of Five, KI 4032 has 1 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 KI 4032?
The CAS number of KI 4032 is 138772-59-5.
What is the molecular formula of KI 4032?
The molecular formula of KI 4032 is C11H12N4O2.
What is the molecular weight of KI 4032?
The molecular weight of KI 4032 is 232.10 g/mol.
Where can I buy KI 4032?
You can request a quote for KI 4032 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KI 4032?
Yes, KEHONG BIO provides custom synthesis services for KI 4032 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.