NPD838
TL;DR: NPD838 (CAS 445472-62-8) is a chemical compound with molecular formula C19H14ClN3O2 and molecular weight 351.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-(3-chlorophenyl)-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraene-12,14-dione
Also Known As: NPD838, 2-(3-chlorophenyl)-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione, 2-(3-CHLOROPHENYL)-5,6,11,11A-TETRAHYDRO-1H-IMIDAZO[1,5-B]BETA-CARBOLINE-1,3(2H)-DIONE
| Molecular Formula | C19H14ClN3O2 |
|---|---|
| Molecular Weight | 351.08 g/mol |
| LogP | 3.7148 |
| Topological Polar Surface Area | 56.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 351.07745 |
| Heavy Atoms | 25 |
| Complexity | 1042.0802 |
Chemical Identifiers
| CAS Number | 445472-62-8 |
|---|---|
| SMILES | C1C2C(=O)N(C(=O)N2CC3=C1C4=CC=CC=C4N3)C5=CC(=CC=C5)Cl |
Product Overview
NPD838 (CAS 445472-62-8), with molecular formula C19H14ClN3O2 and molecular weight 351.08 g/mol. IUPAC: 13-(3-chlorophenyl)-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraene-12,14-dione.
Chemical Property Profile of NPD838
Property Insights of NPD838
The XLogP value of 3.7148 indicates that NPD838 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.41 Ų, NPD838 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NPD838 has 1 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 NPD838?
The CAS number of NPD838 is 445472-62-8.
What is the molecular formula of NPD838?
The molecular formula of NPD838 is C19H14ClN3O2.
What is the molecular weight of NPD838?
The molecular weight of NPD838 is 351.08 g/mol.
Where can I buy NPD838?
You can request a quote for NPD838 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NPD838?
Yes, KEHONG BIO provides custom synthesis services for NPD838 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.