IPR803
TL;DR: IPR803 (CAS 892243-35-5) is a chemical compound with molecular formula C27H23N3O4 and molecular weight 453.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[12-(azepan-1-yl)-8-oxo-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-10-yl]amino]benzoic acid
Also Known As: IPR803, J3.217.900B, 3-[[12-(Azepan-1-yl)-8-oxo-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-10-yl]amino]benzoic acid, 3-{[3-(1-AZEPANYL)-6-OXO-6H-ANTHRA[1,9-CD]ISOXAZOL-5-YL]AMINO}BENZOIC ACID, 3-((3-(Azepan-1-yl)-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl)amino)benzoic acid
| Molecular Formula | C27H23N3O4 |
|---|---|
| Molecular Weight | 453.17 g/mol |
| LogP | 5.8614 |
| Topological Polar Surface Area | 95.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 453.16885 |
| Heavy Atoms | 34 |
| Complexity | 1447.79 |
Chemical Identifiers
| CAS Number | 892243-35-5 |
|---|---|
| SMILES | C1CCCN(CC1)C2=CC(=C3C4=C(C5=CC=CC=C5C3=O)ON=C24)NC6=CC=CC(=C6)C(=O)O |
Product Overview
IPR803 (CAS 892243-35-5), with molecular formula C27H23N3O4 and molecular weight 453.17 g/mol. IUPAC: 3-[[12-(azepan-1-yl)-8-oxo-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-10-yl]amino]benzoic acid.
Chemical Property Profile of IPR803
Property Insights of IPR803
The XLogP value of 5.8614 indicates that IPR803 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.67 Ų falls within the moderate polarity range, balancing permeability and solubility for IPR803. Following Lipinski's Rule of Five, IPR803 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of IPR803?
The CAS number of IPR803 is 892243-35-5.
What is the molecular formula of IPR803?
The molecular formula of IPR803 is C27H23N3O4.
What is the molecular weight of IPR803?
The molecular weight of IPR803 is 453.17 g/mol.
Where can I buy IPR803?
You can request a quote for IPR803 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IPR803?
Yes, KEHONG BIO provides custom synthesis services for IPR803 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.