F1816-0329
TL;DR: F1816-0329 (CAS 868377-39-3) is a chemical compound with molecular formula C21H18ClN3O3S2 and molecular weight 459.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-pyrrolidin-1-ylsulfonylbenzamide
Also Known As: F1816-0329, N-[(2Z)-4-chloro-3-(prop-2-yn-1-yl)-2,3-dihydro-1,3-benzothiazol-2-ylidene]-4-(pyrrolidine-1-sulfonyl)benzamide, N-(4-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-pyrrolidin-1-ylsulfonylbenzamide, (Z)-N-(4-chloro-3-(prop-2-yn-1-yl)benzo[d]thiazol-2(3H)-ylidene)-4-(pyrrolidin-1-ylsulfonyl)benzamide, N-(4-chloro-3-prop-2-ynyl-benzothiazol-2-ylidene)-4-pyrrolidin-1-ylsulfonyl-benzamide
| Molecular Formula | C21H18ClN3O3S2 |
|---|---|
| Molecular Weight | 459.05 g/mol |
| LogP | 3.515 |
| Topological Polar Surface Area | 71.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 459.04782 |
| Heavy Atoms | 30 |
| Complexity | 1326.5591 |
Chemical Identifiers
| CAS Number | 868377-39-3 |
|---|---|
| SMILES | C#CCN1C2=C(C=CC=C2Cl)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4 |
Product Overview
F1816-0329 (CAS 868377-39-3), with molecular formula C21H18ClN3O3S2 and molecular weight 459.05 g/mol. IUPAC: N-(4-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-pyrrolidin-1-ylsulfonylbenzamide.
Chemical Property Profile of F1816-0329
Property Insights of F1816-0329
The XLogP value of 3.515 indicates that F1816-0329 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.74 Ų falls within the moderate polarity range, balancing permeability and solubility for F1816-0329. Following Lipinski's Rule of Five, F1816-0329 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F1816-0329?
The CAS number of F1816-0329 is 868377-39-3.
What is the molecular formula of F1816-0329?
The molecular formula of F1816-0329 is C21H18ClN3O3S2.
What is the molecular weight of F1816-0329?
The molecular weight of F1816-0329 is 459.05 g/mol.
Where can I buy F1816-0329?
You can request a quote for F1816-0329 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1816-0329?
Yes, KEHONG BIO provides custom synthesis services for F1816-0329 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.