F1816-0468
TL;DR: F1816-0468 (CAS 868377-85-9) is a chemical compound with molecular formula C24H21N5O4S2 and molecular weight 507.10 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-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide
Also Known As: F1816-0468, 4-[bis(2-cyanoethyl)sulfamoyl]-N-(4-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide, (Z)-4-(N,N-bis(2-cyanoethyl)sulfamoyl)-N-(4-methoxy-3-(prop-2-yn-1-yl)benzo[d]thiazol-2(3H)-ylidene)benzamide, 4-[bis(2-cyanoethyl)sulfamoyl]-N-[(2Z)-4-methoxy-3-(prop-2-yn-1-yl)-2,3-dihydro-1,3-benzothiazol-2-ylidene]benzamide, 4-[bis(2-cyanoethyl)sulfamoyl]-N-(4-methoxy-3-prop-2-ynyl-benzothiazol-2-ylidene)benzamide
| Molecular Formula | C24H21N5O4S2 |
|---|---|
| Molecular Weight | 507.10 g/mol |
| LogP | 2.90376 |
| Topological Polar Surface Area | 128.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 507.1035 |
| Heavy Atoms | 35 |
| Complexity | 1514.1853 |
Chemical Identifiers
| CAS Number | 868377-85-9 |
|---|---|
| SMILES | COC1=C2C(=CC=C1)SC(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(CCC#N)CCC#N)N2CC#C |
Product Overview
F1816-0468 (CAS 868377-85-9), with molecular formula C24H21N5O4S2 and molecular weight 507.10 g/mol. IUPAC: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(4-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide.
Chemical Property Profile of F1816-0468
Property Insights of F1816-0468
The XLogP value of 2.90376 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F1816-0468. The TPSA of 128.55 Ų falls within the moderate polarity range, balancing permeability and solubility for F1816-0468. Following Lipinski's Rule of Five, F1816-0468 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F1816-0468?
The CAS number of F1816-0468 is 868377-85-9.
What is the molecular formula of F1816-0468?
The molecular formula of F1816-0468 is C24H21N5O4S2.
What is the molecular weight of F1816-0468?
The molecular weight of F1816-0468 is 507.10 g/mol.
Where can I buy F1816-0468?
You can request a quote for F1816-0468 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1816-0468?
Yes, KEHONG BIO provides custom synthesis services for F1816-0468 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.