NCI60_036477
TL;DR: NCI60_036477 (CAS 1049970-43-5) is a chemical compound with molecular formula C19H17ClN2OS and molecular weight 356.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorophenyl)-N-(2-methoxyphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine
Also Known As: NCI60_036477, AB00709580-01, N-(3-Allyl-4-(4-chlorophenyl)-1,3-thiazol-2(3H)-ylidene)-2-methoxyaniline hydrobromide, 3-allyl-4-(4-chlorophenyl)-N-(2-methoxyphenyl)thiazol-2-imine, 4-(4-chlorophenyl)-N-(2-methoxyphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine
| Molecular Formula | C19H17ClN2OS |
|---|---|
| Molecular Weight | 356.07 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 356.075 |
| Heavy Atoms | 24 |
| Complexity | 500.0 |
Chemical Identifiers
| CAS Number | 1049970-43-5 |
|---|---|
| SMILES | COC1=CC=CC=C1N=C2N(C(=CS2)C3=CC=C(C=C3)Cl)CC=C |
| InChIKey | YJXGUOCYDKSVDO-UHFFFAOYSA-N |
Product Overview
NCI60_036477 (CAS 1049970-43-5), with molecular formula C19H17ClN2OS and molecular weight 356.07 g/mol. IUPAC: 4-(4-chlorophenyl)-N-(2-methoxyphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine.
Chemical Property Profile of NCI60_036477
Property Insights of NCI60_036477
The XLogP value of 5.2 indicates that NCI60_036477 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.1 Ų, NCI60_036477 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NCI60_036477 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of NCI60_036477?
The CAS number of NCI60_036477 is 1049970-43-5.
What is the molecular formula of NCI60_036477?
The molecular formula of NCI60_036477 is C19H17ClN2OS.
What is the molecular weight of NCI60_036477?
The molecular weight of NCI60_036477 is 356.07 g/mol.
Where can I buy NCI60_036477?
You can request a quote for NCI60_036477 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_036477?
Yes, KEHONG BIO provides custom synthesis services for NCI60_036477 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.