Neq135
TL;DR: Neq135 (CAS 224175-74-0) is a chemical compound with molecular formula C15H14BrNO7 and molecular weight 399.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-bromo-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxoquinoline-3-carboxylic acid
Also Known As: Neq135, 7-Bromo-1,4-dihydro-4-oxo-1-(beta-D-ribofuranosyl)quinoline-3-carboxylic acid, 7-Bromo-1-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid, 7-bromo-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxoquinoline-3-carboxylic acid, 7-bromo-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-oxo-quinoline-3-carboxylic acid
| Molecular Formula | C15H14BrNO7 |
|---|---|
| Molecular Weight | 399.00 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 398.99536 |
| Heavy Atoms | 24 |
| Complexity | 568.0 |
Chemical Identifiers
| CAS Number | 224175-74-0 |
|---|---|
| SMILES | C1=CC2=C(C=C1Br)N(C=C(C2=O)C(=O)O)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O |
| InChIKey | NGAYUIJOWNVTRB-FMKGYKFTSA-N |
Product Overview
Neq135 (CAS 224175-74-0), with molecular formula C15H14BrNO7 and molecular weight 399.00 g/mol. IUPAC: 7-bromo-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxoquinoline-3-carboxylic acid.
Chemical Property Profile of Neq135
Property Insights of Neq135
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Neq135. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Neq135. Following Lipinski's Rule of Five, Neq135 has 4 hydrogen bond donor(s) and 8 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 Neq135?
The CAS number of Neq135 is 224175-74-0.
What is the molecular formula of Neq135?
The molecular formula of Neq135 is C15H14BrNO7.
What is the molecular weight of Neq135?
The molecular weight of Neq135 is 399.00 g/mol.
Where can I buy Neq135?
You can request a quote for Neq135 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neq135?
Yes, KEHONG BIO provides custom synthesis services for Neq135 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.