Syn 1253
TL;DR: Syn 1253 (CAS 168959-31-7) is a chemical compound with molecular formula C21H22FN5O4 and molecular weight 427.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyclopropyl-6-fluoro-8-methoxy-7-[3-(4-methyltriazol-1-yl)pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid
Also Known As: SYN 1253, 3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(3-(4-methyl-1H-1,2,3-triazol-1-yl)-1-pyrrolidinyl)-4-oxo-, 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-(4-methyltriazol-1-yl)pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid, 1-Cyclopropyl-6-fluoro-8-methoxy-1,4-dihydro-4-oxo-7-[3-(4-methyl-1H-1,2,3-triazol-1-yl)pyrrolizino]-3-quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-(4-methyl-1H-1,2,3-triazol-1-yl)pyrrolidin-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
| Molecular Formula | C21H22FN5O4 |
|---|---|
| Molecular Weight | 427.17 g/mol |
| LogP | 2.53362 |
| Topological Polar Surface Area | 102.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 427.1656 |
| Heavy Atoms | 31 |
| Complexity | 1262.869 |
Chemical Identifiers
| CAS Number | 168959-31-7 |
|---|---|
| SMILES | CC1=CN(N=N1)C2CCN(C2)C3=C(C=C4C(=C3OC)N(C=C(C4=O)C(=O)O)C5CC5)F |
Product Overview
Syn 1253 (CAS 168959-31-7), with molecular formula C21H22FN5O4 and molecular weight 427.17 g/mol. IUPAC: 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-(4-methyltriazol-1-yl)pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid.
Chemical Property Profile of Syn 1253
Property Insights of Syn 1253
The XLogP value of 2.53362 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Syn 1253. The TPSA of 102.48 Ų falls within the moderate polarity range, balancing permeability and solubility for Syn 1253. Following Lipinski's Rule of Five, Syn 1253 has 1 hydrogen bond donor(s) and 6 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 Syn 1253?
The CAS number of Syn 1253 is 168959-31-7.
What is the molecular formula of Syn 1253?
The molecular formula of Syn 1253 is C21H22FN5O4.
What is the molecular weight of Syn 1253?
The molecular weight of Syn 1253 is 427.17 g/mol.
Where can I buy Syn 1253?
You can request a quote for Syn 1253 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Syn 1253?
Yes, KEHONG BIO provides custom synthesis services for Syn 1253 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.