F1816-0472
TL;DR: F1816-0472 (CAS 868377-88-2) is a chemical compound with molecular formula C23H18ClN5O3S2 and molecular weight 511.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[bis(2-cyanoethyl)sulfamoyl]-N-(4-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide
Also Known As: F1816-0472, 4-[bis(2-cyanoethyl)sulfamoyl]-N-[(2Z)-4-chloro-3-(prop-2-yn-1-yl)-2,3-dihydro-1,3-benzothiazol-2-ylidene]benzamide, (Z)-4-(N,N-bis(2-cyanoethyl)sulfamoyl)-N-(4-chloro-3-(prop-2-yn-1-yl)benzo[d]thiazol-2(3H)-ylidene)benzamide, 4-[bis(2-cyanoethyl)sulfamoyl]-N-(4-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide, 4-[bis(2-cyanoethyl)sulfamoyl]-N-(4-chloro-3-prop-2-ynyl-benzothiazol-2-ylidene)benzamide
| Molecular Formula | C23H18ClN5O3S2 |
|---|---|
| Molecular Weight | 511.05 g/mol |
| LogP | 3.54856 |
| Topological Polar Surface Area | 119.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 511.05396 |
| Heavy Atoms | 34 |
| Complexity | 1500.2441 |
Chemical Identifiers
| CAS Number | 868377-88-2 |
|---|---|
| SMILES | C#CCN1C2=C(C=CC=C2Cl)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(CCC#N)CCC#N |
Product Overview
F1816-0472 (CAS 868377-88-2), with molecular formula C23H18ClN5O3S2 and molecular weight 511.05 g/mol. IUPAC: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(4-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide.
Chemical Property Profile of F1816-0472
Property Insights of F1816-0472
The XLogP value of 3.54856 indicates that F1816-0472 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.32 Ų falls within the moderate polarity range, balancing permeability and solubility for F1816-0472. Following Lipinski's Rule of Five, F1816-0472 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F1816-0472?
The CAS number of F1816-0472 is 868377-88-2.
What is the molecular formula of F1816-0472?
The molecular formula of F1816-0472 is C23H18ClN5O3S2.
What is the molecular weight of F1816-0472?
The molecular weight of F1816-0472 is 511.05 g/mol.
Where can I buy F1816-0472?
You can request a quote for F1816-0472 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1816-0472?
Yes, KEHONG BIO provides custom synthesis services for F1816-0472 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.