J1.008.536E
TL;DR: J1.008.536E (CAS 186802-35-7) is a chemical compound with molecular formula C17H18FN3O4 and molecular weight 347.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-6-[(3S)-3-aminopyrrolidin-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: J1.008.536E, 7H-Pyrido(1,2,3-de)-1,4-benzoxazine-6-carboxylic acid, 10-((3S)-3-amino-1-pyrrolidinyl)-9-fluoro-2,3-dihydro-3-methyl-7-oxo-, (3S)-, 10-(3(S)-Amino-1-pyrrolidinyl)-9-fluoro-2,3-dihydro-3(S)-methyl-7-oxo-7H-pyrido(1,2,3-de)(1,4)benzoxazine-6-carbocylic acid, [(3S)-3-aminopyrrolidin-1-yl]-fluoro-methyl-oxo-[?]carboxylic acid, (2S)-6-[(3S)-3-aminopyrrolidin-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 | C17H18FN3O4 |
|---|---|
| Molecular Weight | 347.13 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 96.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 347.12814 |
| Heavy Atoms | 25 |
| Complexity | 627.0 |
Chemical Identifiers
| CAS Number | 186802-35-7 |
|---|---|
| SMILES | C[C@H]1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CC[C@@H](C4)N)F)C(=O)O |
| InChIKey | GOQMLVCAKGZQKN-IUCAKERBSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
J1.008.536E (CAS 186802-35-7), with molecular formula C17H18FN3O4 and molecular weight 347.13 g/mol. IUPAC: (2S)-6-[(3S)-3-aminopyrrolidin-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 J1.008.536E
Property Insights of J1.008.536E
The XLogP value of -0.9 indicates that J1.008.536E is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 96.1 Ų falls within the moderate polarity range, balancing permeability and solubility for J1.008.536E. Following Lipinski's Rule of Five, J1.008.536E has 2 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 J1.008.536E?
The CAS number of J1.008.536E is 186802-35-7.
What is the molecular formula of J1.008.536E?
The molecular formula of J1.008.536E is C17H18FN3O4.
What is the molecular weight of J1.008.536E?
The molecular weight of J1.008.536E is 347.13 g/mol.
Where can I buy J1.008.536E?
You can request a quote for J1.008.536E directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J1.008.536E?
Yes, KEHONG BIO provides custom synthesis services for J1.008.536E and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.