C18H10Cl2IN3S
TL;DR: C18H10Cl2IN3S (CAS 374098-69-8) is a chemical compound with molecular formula C18H10Cl2IN3S and molecular weight 496.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(4-iodoanilino)prop-2-enenitrile
Also Known As: (E)-2-(4-(3,4-dichlorophenyl)thiazol-2-yl)-3-((4-iodophenyl)amino)acrylonitrile, (E)-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(4-iodoanilino)prop-2-enenitrile, 2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-[(4-iodophenyl)amino]prop-2-enenitrile, (2E)-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-[(4-iodophenyl)amino]prop-2-enenitrile
| Molecular Formula | C18H10Cl2IN3S |
|---|---|
| Molecular Weight | 496.90 g/mol |
| LogP | 6.69808 |
| Topological Polar Surface Area | 48.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 496.90173 |
| Heavy Atoms | 25 |
| Complexity | 974.7314 |
Chemical Identifiers
| CAS Number | 374098-69-8 |
|---|---|
| SMILES | C1=CC(=CC=C1N/C=C(\C#N)/C2=NC(=CS2)C3=CC(=C(C=C3)Cl)Cl)I |
Product Overview
C18H10Cl2IN3S (CAS 374098-69-8), with molecular formula C18H10Cl2IN3S and molecular weight 496.90 g/mol. IUPAC: (E)-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(4-iodoanilino)prop-2-enenitrile.
Chemical Property Profile of C18H10Cl2IN3S
Property Insights of C18H10Cl2IN3S
The XLogP value of 6.69808 indicates that C18H10Cl2IN3S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.71 Ų, C18H10Cl2IN3S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C18H10Cl2IN3S has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C18H10Cl2IN3S?
The CAS number of C18H10Cl2IN3S is 374098-69-8.
What is the molecular formula of C18H10Cl2IN3S?
The molecular formula of C18H10Cl2IN3S is C18H10Cl2IN3S.
What is the molecular weight of C18H10Cl2IN3S?
The molecular weight of C18H10Cl2IN3S is 496.90 g/mol.
Where can I buy C18H10Cl2IN3S?
You can request a quote for C18H10Cl2IN3S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C18H10Cl2IN3S?
Yes, KEHONG BIO provides custom synthesis services for C18H10Cl2IN3S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.