JL 13
TL;DR: JL 13 (CAS 174769-79-0) is a chemical compound with molecular formula C21H21ClN4O5 and molecular weight 444.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;8-chloro-5-(4-methylpiperazin-1-yl)pyrido[2,3-b][1,5]benzoxazepine
Also Known As: JL 13 Compound, JL-13 Compound, JL13, JL 13, 5-(4-CHLOROBUTYL)-1H-TETRAZOLE
| Molecular Formula | C21H21ClN4O5 |
|---|---|
| Molecular Weight | 444.12 g/mol |
| LogP | 2.8782 |
| Topological Polar Surface Area | 115.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 444.12006 |
| Heavy Atoms | 31 |
| Complexity | 1016.1802 |
Chemical Identifiers
| CAS Number | 174769-79-0 |
|---|---|
| SMILES | CN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)OC4=C2C=CC=N4.C(=C/C(=O)O)\C(=O)O |
Product Overview
JL 13 (CAS 174769-79-0), with molecular formula C21H21ClN4O5 and molecular weight 444.12 g/mol. IUPAC: (E)-but-2-enedioic acid;8-chloro-5-(4-methylpiperazin-1-yl)pyrido[2,3-b][1,5]benzoxazepine.
Chemical Property Profile of JL 13
Property Insights of JL 13
The XLogP value of 2.8782 suggests moderate lipophilicity, balancing water solubility and membrane permeability for JL 13. The TPSA of 115.56 Ų falls within the moderate polarity range, balancing permeability and solubility for JL 13. Following Lipinski's Rule of Five, JL 13 has 2 hydrogen bond donor(s) and 7 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 JL 13?
The CAS number of JL 13 is 174769-79-0.
What is the molecular formula of JL 13?
The molecular formula of JL 13 is C21H21ClN4O5.
What is the molecular weight of JL 13?
The molecular weight of JL 13 is 444.12 g/mol.
Where can I buy JL 13?
You can request a quote for JL 13 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for JL 13?
Yes, KEHONG BIO provides custom synthesis services for JL 13 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.