F1816-0316
TL;DR: F1816-0316 (CAS 868377-33-7) is a chemical compound with molecular formula C22H21N3O4S2 and molecular weight 455.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-morpholin-4-ylsulfonylbenzamide
Also Known As: F1816-0316, N-[(2Z)-4-methyl-3-(prop-2-yn-1-yl)-2,3-dihydro-1,3-benzothiazol-2-ylidene]-4-(morpholine-4-sulfonyl)benzamide, N-(4-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-morpholin-4-ylsulfonylbenzamide, (Z)-N-(4-methyl-3-(prop-2-yn-1-yl)benzo[d]thiazol-2(3H)-ylidene)-4-(morpholinosulfonyl)benzamide, N-(4-methyl-3-prop-2-ynyl-benzothiazol-2-ylidene)-4-morpholin-4-ylsulfonyl-benzamide
| Molecular Formula | C22H21N3O4S2 |
|---|---|
| Molecular Weight | 455.10 g/mol |
| LogP | 2.40642 |
| Topological Polar Surface Area | 80.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 455.09735 |
| Heavy Atoms | 31 |
| Complexity | 1340.1392 |
Chemical Identifiers
| CAS Number | 868377-33-7 |
|---|---|
| SMILES | CC1=C2C(=CC=C1)SC(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)N2CC#C |
Product Overview
F1816-0316 (CAS 868377-33-7), with molecular formula C22H21N3O4S2 and molecular weight 455.10 g/mol. IUPAC: N-(4-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-morpholin-4-ylsulfonylbenzamide.
Chemical Property Profile of F1816-0316
Property Insights of F1816-0316
The XLogP value of 2.40642 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F1816-0316. The TPSA of 80.97 Ų falls within the moderate polarity range, balancing permeability and solubility for F1816-0316. Following Lipinski's Rule of Five, F1816-0316 has 0 hydrogen bond donor(s) and 5 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 F1816-0316?
The CAS number of F1816-0316 is 868377-33-7.
What is the molecular formula of F1816-0316?
The molecular formula of F1816-0316 is C22H21N3O4S2.
What is the molecular weight of F1816-0316?
The molecular weight of F1816-0316 is 455.10 g/mol.
Where can I buy F1816-0316?
You can request a quote for F1816-0316 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1816-0316?
Yes, KEHONG BIO provides custom synthesis services for F1816-0316 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.