3-(1,3-benzothiazol-2-yl)-4-oxo-4H-chromen-7-yl 4-chlorobutanoate
TL;DR: 3-(1,3-benzothiazol-2-yl)-4-oxo-4H-chromen-7-yl 4-chlorobutanoate (CAS 637746-60-2) is a chemical compound with molecular formula C20H14ClNO4S and molecular weight 399.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(1,3-benzothiazol-2-yl)-4-oxochromen-7-yl] 4-chlorobutanoate
Also Known As: VU0510043-1, 3-benzothiazol-2-yl-4-oxochromen-7-yl 4-chlorobutanoate, 3-(1,3-benzothiazol-2-yl)-4-oxo-4H-chromen-7-yl 4-chlorobutanoate, F3139-0470, [3-(1,3-benzothiazol-2-yl)-4-oxochromen-7-yl] 4-chlorobutanoate
| Molecular Formula | C20H14ClNO4S |
|---|---|
| Molecular Weight | 399.03 g/mol |
| LogP | 4.9941 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 399.0332 |
| Heavy Atoms | 27 |
| Complexity | 1164.5048 |
Chemical Identifiers
| CAS Number | 637746-60-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)C3=COC4=C(C3=O)C=CC(=C4)OC(=O)CCCCl |
Product Overview
3-(1,3-benzothiazol-2-yl)-4-oxo-4H-chromen-7-yl 4-chlorobutanoate (CAS 637746-60-2), with molecular formula C20H14ClNO4S and molecular weight 399.03 g/mol. IUPAC: [3-(1,3-benzothiazol-2-yl)-4-oxochromen-7-yl] 4-chlorobutanoate.
Chemical Property Profile of 3-(1,3-benzothiazol-2-yl)-4-oxo-4H-chromen-7-yl 4-chlorobutanoate
Property Insights of 3-(1,3-benzothiazol-2-yl)-4-oxo-4H-chromen-7-yl 4-chlorobutanoate
The XLogP value of 4.9941 indicates that 3-(1,3-benzothiazol-2-yl)-4-oxo-4H-chromen-7-yl 4-chlorobutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1,3-benzothiazol-2-yl)-4-oxo-4H-chromen-7-yl 4-chlorobutanoate. Following Lipinski's Rule of Five, 3-(1,3-benzothiazol-2-yl)-4-oxo-4H-chromen-7-yl 4-chlorobutanoate has 0 hydrogen bond donor(s) and 6 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 3-(1,3-benzothiazol-2-yl)-4-oxo-4H-chromen-7-yl 4-chlorobutanoate?
The CAS number of 3-(1,3-benzothiazol-2-yl)-4-oxo-4H-chromen-7-yl 4-chlorobutanoate is 637746-60-2.
What is the molecular formula of 3-(1,3-benzothiazol-2-yl)-4-oxo-4H-chromen-7-yl 4-chlorobutanoate?
The molecular formula of 3-(1,3-benzothiazol-2-yl)-4-oxo-4H-chromen-7-yl 4-chlorobutanoate is C20H14ClNO4S.
What is the molecular weight of 3-(1,3-benzothiazol-2-yl)-4-oxo-4H-chromen-7-yl 4-chlorobutanoate?
The molecular weight of 3-(1,3-benzothiazol-2-yl)-4-oxo-4H-chromen-7-yl 4-chlorobutanoate is 399.03 g/mol.
Where can I buy 3-(1,3-benzothiazol-2-yl)-4-oxo-4H-chromen-7-yl 4-chlorobutanoate?
You can request a quote for 3-(1,3-benzothiazol-2-yl)-4-oxo-4H-chromen-7-yl 4-chlorobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1,3-benzothiazol-2-yl)-4-oxo-4H-chromen-7-yl 4-chlorobutanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-benzothiazol-2-yl)-4-oxo-4H-chromen-7-yl 4-chlorobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.