NCI60_003653
TL;DR: NCI60_003653 (CAS 89331-46-4) is a chemical compound with molecular formula C20H25ClN2O2S and molecular weight 392.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-benzylsulfanylethylamino)-3-[1-(2-chlorophenyl)ethylideneamino]oxypropan-2-ol
Also Known As: NCI60_003653, 1-(2-benzylsulfanylethylamino)-3-[(E)-1-(2-chlorophenyl)ethy, (10E)-11-(2-Chlorophenyl)-1-phenyl-9-oxa-2-thia-5,10-diazadodec-10-en-7-ol, 1-(2-benzylsulfanylethylamino)-3-[1-(2-chlorophenyl)ethylideneamino]oxypropan-2-ol
| Molecular Formula | C20H25ClN2O2S |
|---|---|
| Molecular Weight | 392.13 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 79.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 392.13254 |
| Heavy Atoms | 26 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 89331-46-4 |
|---|---|
| SMILES | CC(=NOCC(CNCCSCC1=CC=CC=C1)O)C2=CC=CC=C2Cl |
| InChIKey | OWCXOARYKZIWND-UHFFFAOYSA-N |
Product Overview
NCI60_003653 (CAS 89331-46-4), with molecular formula C20H25ClN2O2S and molecular weight 392.13 g/mol. IUPAC: 1-(2-benzylsulfanylethylamino)-3-[1-(2-chlorophenyl)ethylideneamino]oxypropan-2-ol.
Chemical Property Profile of NCI60_003653
Property Insights of NCI60_003653
The XLogP value of 3.9 indicates that NCI60_003653 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.2 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_003653. Following Lipinski's Rule of Five, NCI60_003653 has 2 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 NCI60_003653?
The CAS number of NCI60_003653 is 89331-46-4.
What is the molecular formula of NCI60_003653?
The molecular formula of NCI60_003653 is C20H25ClN2O2S.
What is the molecular weight of NCI60_003653?
The molecular weight of NCI60_003653 is 392.13 g/mol.
Where can I buy NCI60_003653?
You can request a quote for NCI60_003653 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_003653?
Yes, KEHONG BIO provides custom synthesis services for NCI60_003653 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.