BRD-K80408326-001-07-5
TL;DR: BRD-K80408326-001-07-5 (CAS 396100-72-4) is a chemical compound with molecular formula C20H16N4O2 and molecular weight 344.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-(3-imidazol-1-ylpropylamino)-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one
Also Known As: BRD-K80408326-001-07-5, 5-((3-(1H-imidazol-1-yl)propyl)amino)-6H-anthra[1,9-cd]isoxazol-6-one, 5-{[3-(1H-imidazol-1-yl)propyl]amino}-6H-anthra[1,9-cd][1,2]oxazol-6-one, REGID_for_CID_37839, REGID_for_CID_663844
| Molecular Formula | C20H16N4O2 |
|---|---|
| Molecular Weight | 344.13 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 73.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 344.12732 |
| Heavy Atoms | 26 |
| Complexity | 530.0 |
Chemical Identifiers
| CAS Number | 396100-72-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C4C(=NO3)C=CC(=C4C2=O)NCCCN5C=CN=C5 |
| InChIKey | SIJFRVCYVJSYJY-UHFFFAOYSA-N |
Product Overview
BRD-K80408326-001-07-5 (CAS 396100-72-4), with molecular formula C20H16N4O2 and molecular weight 344.13 g/mol. IUPAC: 10-(3-imidazol-1-ylpropylamino)-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one.
Chemical Property Profile of BRD-K80408326-001-07-5
Property Insights of BRD-K80408326-001-07-5
The XLogP value of 3.5 indicates that BRD-K80408326-001-07-5 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BRD-K80408326-001-07-5. Following Lipinski's Rule of Five, BRD-K80408326-001-07-5 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 BRD-K80408326-001-07-5?
The CAS number of BRD-K80408326-001-07-5 is 396100-72-4.
What is the molecular formula of BRD-K80408326-001-07-5?
The molecular formula of BRD-K80408326-001-07-5 is C20H16N4O2.
What is the molecular weight of BRD-K80408326-001-07-5?
The molecular weight of BRD-K80408326-001-07-5 is 344.13 g/mol.
Where can I buy BRD-K80408326-001-07-5?
You can request a quote for BRD-K80408326-001-07-5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRD-K80408326-001-07-5?
Yes, KEHONG BIO provides custom synthesis services for BRD-K80408326-001-07-5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.