3L-911
TL;DR: 3L-911 (CAS 338413-85-7) is a chemical compound with molecular formula C19H16ClN5O2S and molecular weight 413.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-6-[5-chloro-1-(4-methoxyphenyl)-6-oxopyridazin-4-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
Also Known As: 3L-911, 2-Amino-6-(5-chloro-1-(4-methoxyphenyl)-6-oxo-1,6-dihydro-4-pyridazinyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile, 2-amino-6-[5-chloro-1-(4-methoxyphenyl)-6-oxo-1,6-dihydropyridazin-4-yl]-4H,5H,6H,7H-thieno[2,3-c]pyridine-3-carbonitrile, 2-amino-6-[5-chloro-1-(4-methoxyphenyl)-6-oxopyridazin-4-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile, 2-amino-6-[5-chloro-1-(4-methoxyphenyl)-6-oxo-1,6-dihydro-4-pyridazinyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile
| Molecular Formula | C19H16ClN5O2S |
|---|---|
| Molecular Weight | 413.07 g/mol |
| LogP | 2.97258 |
| Topological Polar Surface Area | 97.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 413.07132 |
| Heavy Atoms | 28 |
| Complexity | 1146.8563 |
Chemical Identifiers
| CAS Number | 338413-85-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=O)C(=C(C=N2)N3CCC4=C(C3)SC(=C4C#N)N)Cl |
Product Overview
3L-911 (CAS 338413-85-7), with molecular formula C19H16ClN5O2S and molecular weight 413.07 g/mol. IUPAC: 2-amino-6-[5-chloro-1-(4-methoxyphenyl)-6-oxopyridazin-4-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile.
Chemical Property Profile of 3L-911
Property Insights of 3L-911
The XLogP value of 2.97258 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3L-911. The TPSA of 97.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 3L-911. Following Lipinski's Rule of Five, 3L-911 has 1 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 3L-911?
The CAS number of 3L-911 is 338413-85-7.
What is the molecular formula of 3L-911?
The molecular formula of 3L-911 is C19H16ClN5O2S.
What is the molecular weight of 3L-911?
The molecular weight of 3L-911 is 413.07 g/mol.
Where can I buy 3L-911?
You can request a quote for 3L-911 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3L-911?
Yes, KEHONG BIO provides custom synthesis services for 3L-911 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.