F1816-0473
TL;DR: F1816-0473 (CAS 868377-89-3) is a chemical compound with molecular formula C27H21N5O3S2 and molecular weight 527.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[bis(2-cyanoethyl)sulfamoyl]-N-(3-prop-2-ynylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide
Also Known As: F1816-0473, 4-[bis(2-cyanoethyl)sulfamoyl]-N-(3-prop-2-ynylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide, (Z)-4-(N,N-bis(2-cyanoethyl)sulfamoyl)-N-(3-(prop-2-yn-1-yl)naphtho[2,1-d]thiazol-2(3H)-ylidene)benzamide, 4-[bis(2-cyanoethyl)sulfamoyl]-N-[(2Z)-3-(prop-2-yn-1-yl)-2H,3H-naphtho[2,1-d][1,3]thiazol-2-ylidene]benzamide
| Molecular Formula | C27H21N5O3S2 |
|---|---|
| Molecular Weight | 527.11 g/mol |
| LogP | 4.04836 |
| Topological Polar Surface Area | 119.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 527.1086 |
| Heavy Atoms | 37 |
| Complexity | 1762.8518 |
Chemical Identifiers
| CAS Number | 868377-89-3 |
|---|---|
| SMILES | C#CCN1C2=C(C3=CC=CC=C3C=C2)SC1=NC(=O)C4=CC=C(C=C4)S(=O)(=O)N(CCC#N)CCC#N |
Product Overview
F1816-0473 (CAS 868377-89-3), with molecular formula C27H21N5O3S2 and molecular weight 527.11 g/mol. IUPAC: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(3-prop-2-ynylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide.
Chemical Property Profile of F1816-0473
Property Insights of F1816-0473
The XLogP value of 4.04836 indicates that F1816-0473 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 F1816-0473. Following Lipinski's Rule of Five, F1816-0473 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 F1816-0473?
The CAS number of F1816-0473 is 868377-89-3.
What is the molecular formula of F1816-0473?
The molecular formula of F1816-0473 is C27H21N5O3S2.
What is the molecular weight of F1816-0473?
The molecular weight of F1816-0473 is 527.11 g/mol.
Where can I buy F1816-0473?
You can request a quote for F1816-0473 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1816-0473?
Yes, KEHONG BIO provides custom synthesis services for F1816-0473 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.