Acetic acid, ((2-chloro-9-acridinyl)thio)-, compd. with piperidine (1:1)
TL;DR: Acetic acid, ((2-chloro-9-acridinyl)thio)-, compd. with piperidine (1:1) (CAS 106636-59-3) is a chemical compound with molecular formula C20H21ClN2O2S and molecular weight 388.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-chloroacridin-9-yl)sulfanylacetate;piperidin-1-ium
Also Known As: 3,4,5,6-tetrahydro-2H-pyridine, 2-(2-chloroacridin-9-yl)sulfanylaceticacid, 2-(2-chloroacridin-9-yl)sulfanylacetate; piperidin-1-ium, ((2-Chloro-9-acridinyl)thio)acetic acid compd. with piperidine (1:1), ACETIC ACID, ((2-CHLORO-9-ACRIDINYL)THIO)-, compd. with PIPERIDINE (1:1)
| Molecular Formula | C20H21ClN2O2S |
|---|---|
| Molecular Weight | 388.10 g/mol |
| LogP | 2.62 |
| Topological Polar Surface Area | 94.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 388.10123 |
| Heavy Atoms | 26 |
| Complexity | 393.0 |
Chemical Identifiers
| CAS Number | 106636-59-3 |
|---|---|
| SMILES | C1CC[NH2+]CC1.C1=CC=C2C(=C1)C(=C3C=C(C=CC3=N2)Cl)SCC(=O)[O-] |
| InChIKey | UXLJDDZFILQSMD-UHFFFAOYSA-N |
Product Overview
Acetic acid, ((2-chloro-9-acridinyl)thio)-, compd. with piperidine (1:1) (CAS 106636-59-3), with molecular formula C20H21ClN2O2S and molecular weight 388.10 g/mol. IUPAC: 2-(2-chloroacridin-9-yl)sulfanylacetate;piperidin-1-ium.
Chemical Property Profile of Acetic acid, ((2-chloro-9-acridinyl)thio)-, compd. with piperidine (1:1)
Property Insights of Acetic acid, ((2-chloro-9-acridinyl)thio)-, compd. with piperidine (1:1)
The XLogP value of 2.62 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, ((2-chloro-9-acridinyl)thio)-, compd. with piperidine (1:1). The TPSA of 94.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, ((2-chloro-9-acridinyl)thio)-, compd. with piperidine (1:1). Following Lipinski's Rule of Five, Acetic acid, ((2-chloro-9-acridinyl)thio)-, compd. with piperidine (1:1) has 1 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 Acetic acid, ((2-chloro-9-acridinyl)thio)-, compd. with piperidine (1:1)?
The CAS number of Acetic acid, ((2-chloro-9-acridinyl)thio)-, compd. with piperidine (1:1) is 106636-59-3.
What is the molecular formula of Acetic acid, ((2-chloro-9-acridinyl)thio)-, compd. with piperidine (1:1)?
The molecular formula of Acetic acid, ((2-chloro-9-acridinyl)thio)-, compd. with piperidine (1:1) is C20H21ClN2O2S.
What is the molecular weight of Acetic acid, ((2-chloro-9-acridinyl)thio)-, compd. with piperidine (1:1)?
The molecular weight of Acetic acid, ((2-chloro-9-acridinyl)thio)-, compd. with piperidine (1:1) is 388.10 g/mol.
Where can I buy Acetic acid, ((2-chloro-9-acridinyl)thio)-, compd. with piperidine (1:1)?
You can request a quote for Acetic acid, ((2-chloro-9-acridinyl)thio)-, compd. with piperidine (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, ((2-chloro-9-acridinyl)thio)-, compd. with piperidine (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, ((2-chloro-9-acridinyl)thio)-, compd. with piperidine (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.