AJ-292/41083250
TL;DR: AJ-292/41083250 (CAS 433965-79-8) is a chemical compound with molecular formula C21H18N2O5 and molecular weight 378.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
17-(3-hydroxypropyl)-1-nitro-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
Also Known As: AJ-292/41083250, 17-(3-hydroxypropyl)-1-nitro-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione (non-preferred name), 1-[hydroxy(oxido)amino]-17-(3-hydroxypropyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione, 13-(3-hydroxypropyl)-9-nitro-10,11-dihydro-9H-9,10-[3,4]epipyrroloanthracene-12,14(13H,15H)-dione, 17-(3-HYDROXYPROPYL)-1-NITRO-17-AZAPENTACYCLO[6.6.5.0~2,7~.0~9,14~.0~15,19~]NONADECA-2,4,6,9(14),10,12-HEXAENE-16,18-DIONE
| Molecular Formula | C21H18N2O5 |
|---|---|
| Molecular Weight | 378.12 g/mol |
| LogP | 1.6494 |
| Topological Polar Surface Area | 100.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 378.12158 |
| Heavy Atoms | 28 |
| Complexity | 985.46094 |
Chemical Identifiers
| CAS Number | 433965-79-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3C4C(C2(C5=CC=CC=C35)[N+](=O)[O-])C(=O)N(C4=O)CCCO |
Product Overview
AJ-292/41083250 (CAS 433965-79-8), with molecular formula C21H18N2O5 and molecular weight 378.12 g/mol. IUPAC: 17-(3-hydroxypropyl)-1-nitro-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione.
Chemical Property Profile of AJ-292/41083250
Property Insights of AJ-292/41083250
The XLogP value of 1.6494 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AJ-292/41083250. The TPSA of 100.75 Ų falls within the moderate polarity range, balancing permeability and solubility for AJ-292/41083250. Following Lipinski's Rule of Five, AJ-292/41083250 has 1 hydrogen bond donor(s) and 5 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 AJ-292/41083250?
The CAS number of AJ-292/41083250 is 433965-79-8.
What is the molecular formula of AJ-292/41083250?
The molecular formula of AJ-292/41083250 is C21H18N2O5.
What is the molecular weight of AJ-292/41083250?
The molecular weight of AJ-292/41083250 is 378.12 g/mol.
Where can I buy AJ-292/41083250?
You can request a quote for AJ-292/41083250 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AJ-292/41083250?
Yes, KEHONG BIO provides custom synthesis services for AJ-292/41083250 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.