Quinocarmycin analog
TL;DR: Quinocarmycin analog (CAS 96251-59-1) is a chemical compound with molecular formula C19H23N3O4 and molecular weight 357.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-cyano-10-(hydroxymethyl)-8-methoxy-16-methyl-11,16-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4(9),5,7-triene-15-carboxylic acid
Also Known As: Quinocarmycin analog, Antibiotic DX-52-1, CYANO-QUINOCARMYCIN, NCI60_004691, (+)-DX 52-1
| Molecular Formula | C19H23N3O4 |
|---|---|
| Molecular Weight | 357.17 g/mol |
| LogP | -1.7 |
| Topological Polar Surface Area | 97.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 357.16885 |
| Heavy Atoms | 26 |
| Complexity | 619.0 |
Chemical Identifiers
| CAS Number | 96251-59-1 |
|---|---|
| SMILES | CN1C2CC(C1C3CC4=C(C(N3C2C#N)CO)C(=CC=C4)OC)C(=O)O |
| InChIKey | YGWHMSNGVVTUIT-UHFFFAOYSA-N |
Product Overview
Quinocarmycin analog (CAS 96251-59-1), with molecular formula C19H23N3O4 and molecular weight 357.17 g/mol. IUPAC: 12-cyano-10-(hydroxymethyl)-8-methoxy-16-methyl-11,16-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4(9),5,7-triene-15-carboxylic acid.
Chemical Property Profile of Quinocarmycin analog
Property Insights of Quinocarmycin analog
The XLogP value of -1.7 indicates that Quinocarmycin analog is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 97.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Quinocarmycin analog. Following Lipinski's Rule of Five, Quinocarmycin analog has 2 hydrogen bond donor(s) and 7 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 Quinocarmycin analog?
The CAS number of Quinocarmycin analog is 96251-59-1.
What is the molecular formula of Quinocarmycin analog?
The molecular formula of Quinocarmycin analog is C19H23N3O4.
What is the molecular weight of Quinocarmycin analog?
The molecular weight of Quinocarmycin analog is 357.17 g/mol.
Where can I buy Quinocarmycin analog?
You can request a quote for Quinocarmycin analog directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quinocarmycin analog?
Yes, KEHONG BIO provides custom synthesis services for Quinocarmycin analog and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.