NCIOpen2_005889
TL;DR: NCIOpen2_005889 (CAS 18278-95-0) is a chemical compound with molecular formula C11H15NO3 and molecular weight 209.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-hydroxyphenyl)methylideneamino]-2-methylpropane-1,3-diol
Also Known As: NCIOpen2_005889, 2-Methyl-2-(salicylideneamino)-1,3-propanediol, J2.724.960D, 2-[[1,1-Bis(hydroxymethyl)ethyl]iminomethyl]phenol, 1,3-Dihydroxy-2-methyl-2-(salicylideneamino)propane
| Molecular Formula | C11H15NO3 |
|---|---|
| Molecular Weight | 209.11 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 73.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 209.1052 |
| Heavy Atoms | 15 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 18278-95-0 |
|---|---|
| SMILES | CC(CO)(CO)N=CC1=CC=CC=C1O |
| InChIKey | CHBRCMBNFDMGKE-UHFFFAOYSA-N |
Product Overview
NCIOpen2_005889 (CAS 18278-95-0), with molecular formula C11H15NO3 and molecular weight 209.11 g/mol. IUPAC: 2-[(2-hydroxyphenyl)methylideneamino]-2-methylpropane-1,3-diol.
Chemical Property Profile of NCIOpen2_005889
Property Insights of NCIOpen2_005889
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCIOpen2_005889. The TPSA of 73.1 Ų falls within the moderate polarity range, balancing permeability and solubility for NCIOpen2_005889. Following Lipinski's Rule of Five, NCIOpen2_005889 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 NCIOpen2_005889?
The CAS number of NCIOpen2_005889 is 18278-95-0.
What is the molecular formula of NCIOpen2_005889?
The molecular formula of NCIOpen2_005889 is C11H15NO3.
What is the molecular weight of NCIOpen2_005889?
The molecular weight of NCIOpen2_005889 is 209.11 g/mol.
Where can I buy NCIOpen2_005889?
You can request a quote for NCIOpen2_005889 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCIOpen2_005889?
Yes, KEHONG BIO provides custom synthesis services for NCIOpen2_005889 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.