Pnu-142774E
TL;DR: Pnu-142774E (CAS 282522-93-4) is a chemical compound with molecular formula C11H13N3S and molecular weight 219.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(10R)-10-(methylamino)-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-2-thione
Also Known As: PNU-142774E, (5R)-5-(Methylamino)-5,6-dihydro-4H-imidazo[4,5,1-ij]quinoline-2(1H)-thione, 4H-Imidazo[4,5,1-ij]quinoline-2(1H)-thione, 5,6-dihydro-5-(methylamino)-, (5R)-, RefChem:929480
| Molecular Formula | C11H13N3S |
|---|---|
| Molecular Weight | 219.08 g/mol |
| LogP | 1.84299 |
| Topological Polar Surface Area | 32.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 219.08302 |
| Heavy Atoms | 15 |
| Complexity | 566.707 |
Chemical Identifiers
| CAS Number | 282522-93-4 |
|---|---|
| SMILES | CN[C@@H]1CC2=C3C(=CC=C2)NC(=S)N3C1 |
Product Overview
Pnu-142774E (CAS 282522-93-4), with molecular formula C11H13N3S and molecular weight 219.08 g/mol. IUPAC: (10R)-10-(methylamino)-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-2-thione.
Chemical Property Profile of Pnu-142774E
Property Insights of Pnu-142774E
The XLogP value of 1.84299 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pnu-142774E. With a topological polar surface area (TPSA) of 32.75 Ų, Pnu-142774E exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pnu-142774E has 2 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 Pnu-142774E?
The CAS number of Pnu-142774E is 282522-93-4.
What is the molecular formula of Pnu-142774E?
The molecular formula of Pnu-142774E is C11H13N3S.
What is the molecular weight of Pnu-142774E?
The molecular weight of Pnu-142774E is 219.08 g/mol.
Where can I buy Pnu-142774E?
You can request a quote for Pnu-142774E directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pnu-142774E?
Yes, KEHONG BIO provides custom synthesis services for Pnu-142774E and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.