CTK2H9041
TL;DR: CTK2H9041 (CAS 78886-41-6) is a chemical compound with molecular formula C11H15N3O4 and molecular weight 253.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]carbamate
Also Known As: ETHYL N-[[(E)-[5-(HYDROXYMETHYL)-2-METHYL-3-OXO-PYRIDIN-4-YLIDENE]METHYL]AMINO]CARBAMATE
| Molecular Formula | C11H15N3O4 |
|---|---|
| Molecular Weight | 253.11 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 253.10626 |
| Heavy Atoms | 18 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 78886-41-6 |
|---|---|
| SMILES | CCOC(=O)NN=CC1=C(C(=NC=C1CO)C)O |
| InChIKey | USRCVSGDXOOXKM-UHFFFAOYSA-N |
Product Overview
CTK2H9041 (CAS 78886-41-6), with molecular formula C11H15N3O4 and molecular weight 253.11 g/mol. IUPAC: ethyl N-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]carbamate.
Chemical Property Profile of CTK2H9041
Property Insights of CTK2H9041
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CTK2H9041. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK2H9041. Following Lipinski's Rule of Five, CTK2H9041 has 3 hydrogen bond donor(s) and 6 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 CTK2H9041?
The CAS number of CTK2H9041 is 78886-41-6.
What is the molecular formula of CTK2H9041?
The molecular formula of CTK2H9041 is C11H15N3O4.
What is the molecular weight of CTK2H9041?
The molecular weight of CTK2H9041 is 253.11 g/mol.
Where can I buy CTK2H9041?
You can request a quote for CTK2H9041 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK2H9041?
Yes, KEHONG BIO provides custom synthesis services for CTK2H9041 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.