J1.342.083A
TL;DR: J1.342.083A (CAS 292865-93-1) is a chemical compound with molecular formula C19H22FN3O4 and molecular weight 375.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-7-fluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
Also Known As: J1.342.083A, 7H-Pyrido(1,2,3-de)-1,4-benzoxazine-6-carboxylic acid, 10-((3S)-3-(dimethylamino)-1-pyrrolidinyl)-9-fluoro-2,3-dihydro-3-methyl-7-oxo-, (3S)-, 9-Fluoro-2,3-dihydro-3(S)-methyl-10-(3(S)-N,N-dimethylamino-1-pyrrolidinyl)-7-oxo-7H-pyrido(1,2,3-de)(1,4)benzoxazine-6-carbocylic acid, [(3S)-3-(dimethylamino)pyrrolidin-1-yl]-fluoro-methyl-oxo-[?]carboxylic acid, (2S)-6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-7-fluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
| Molecular Formula | C19H22FN3O4 |
|---|---|
| Molecular Weight | 375.16 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 73.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 375.15942 |
| Heavy Atoms | 27 |
| Complexity | 669.0 |
Chemical Identifiers
| CAS Number | 292865-93-1 |
|---|---|
| SMILES | C[C@H]1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CC[C@@H](C4)N(C)C)F)C(=O)O |
| InChIKey | SEUHURFMDDZDNL-QWRGUYRKSA-N |
Product Overview
J1.342.083A (CAS 292865-93-1), with molecular formula C19H22FN3O4 and molecular weight 375.16 g/mol. IUPAC: (2S)-6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-7-fluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid.
Chemical Property Profile of J1.342.083A
Property Insights of J1.342.083A
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for J1.342.083A. The TPSA of 73.3 Ų falls within the moderate polarity range, balancing permeability and solubility for J1.342.083A. Following Lipinski's Rule of Five, J1.342.083A has 1 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 J1.342.083A?
The CAS number of J1.342.083A is 292865-93-1.
What is the molecular formula of J1.342.083A?
The molecular formula of J1.342.083A is C19H22FN3O4.
What is the molecular weight of J1.342.083A?
The molecular weight of J1.342.083A is 375.16 g/mol.
Where can I buy J1.342.083A?
You can request a quote for J1.342.083A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J1.342.083A?
Yes, KEHONG BIO provides custom synthesis services for J1.342.083A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.