![2-(4-Chlorobutyl)-1lambda6-naphtho[1,8-CD]isothiazole-1,1(2H)-dione structure](/static/products/1276/127625-85-8.webp)
2-(4-Chlorobutyl)-1lambda6-naphtho[1,8-CD]isothiazole-1,1(2H)-dione
TL;DR: 2-(4-Chlorobutyl)-1lambda6-naphtho[1,8-CD]isothiazole-1,1(2H)-dione (CAS 127625-85-8) is a chemical compound with molecular formula C14H14ClNO2S and molecular weight 295.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorobutyl)-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene 2,2-dioxide
Also Known As: 2-(4-CHLOROBUTYL)-1LAMBDA6-NAPHTHO[1,8-CD]ISOTHIAZOLE-1,1(2H)-DIONE, 2-(4-chlorobutyl)naphtho[1,8-cd]isothiazole 1,1-dioxide, 3-(4-chlorobutyl)-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene 2,2-dioxide, 3-(4-chlorobutyl)-2$l^{6}-thia-3-azatricyclo[6.3.1.0^{4,12}]dodeca-1(11),4(12),5,7,9-pentaene-2,2-dione
| Molecular Formula | C14H14ClNO2S |
|---|---|
| Molecular Weight | 295.04 g/mol |
| LogP | 3.3675 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 295.04337 |
| Heavy Atoms | 19 |
| Complexity | 722.0534 |
Chemical Identifiers
| CAS Number | 127625-85-8 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)N(S(=O)(=O)C3=CC=C2)CCCCCl |
Product Overview
2-(4-Chlorobutyl)-1lambda6-naphtho[1,8-CD]isothiazole-1,1(2H)-dione (CAS 127625-85-8), with molecular formula C14H14ClNO2S and molecular weight 295.04 g/mol. IUPAC: 3-(4-chlorobutyl)-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene 2,2-dioxide.
Chemical Property Profile of 2-(4-Chlorobutyl)-1lambda6-naphtho[1,8-CD]isothiazole-1,1(2H)-dione
Property Insights of 2-(4-Chlorobutyl)-1lambda6-naphtho[1,8-CD]isothiazole-1,1(2H)-dione
The XLogP value of 3.3675 indicates that 2-(4-Chlorobutyl)-1lambda6-naphtho[1,8-CD]isothiazole-1,1(2H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.38 Ų, 2-(4-Chlorobutyl)-1lambda6-naphtho[1,8-CD]isothiazole-1,1(2H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Chlorobutyl)-1lambda6-naphtho[1,8-CD]isothiazole-1,1(2H)-dione has 0 hydrogen bond donor(s) and 2 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 2-(4-Chlorobutyl)-1lambda6-naphtho[1,8-CD]isothiazole-1,1(2H)-dione?
The CAS number of 2-(4-Chlorobutyl)-1lambda6-naphtho[1,8-CD]isothiazole-1,1(2H)-dione is 127625-85-8.
What is the molecular formula of 2-(4-Chlorobutyl)-1lambda6-naphtho[1,8-CD]isothiazole-1,1(2H)-dione?
The molecular formula of 2-(4-Chlorobutyl)-1lambda6-naphtho[1,8-CD]isothiazole-1,1(2H)-dione is C14H14ClNO2S.
What is the molecular weight of 2-(4-Chlorobutyl)-1lambda6-naphtho[1,8-CD]isothiazole-1,1(2H)-dione?
The molecular weight of 2-(4-Chlorobutyl)-1lambda6-naphtho[1,8-CD]isothiazole-1,1(2H)-dione is 295.04 g/mol.
Where can I buy 2-(4-Chlorobutyl)-1lambda6-naphtho[1,8-CD]isothiazole-1,1(2H)-dione?
You can request a quote for 2-(4-Chlorobutyl)-1lambda6-naphtho[1,8-CD]isothiazole-1,1(2H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Chlorobutyl)-1lambda6-naphtho[1,8-CD]isothiazole-1,1(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chlorobutyl)-1lambda6-naphtho[1,8-CD]isothiazole-1,1(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.