![CAS 1093185-35-3 3-quinolinecarboxylic acid, 1-(6-amino-3,5-difluoro-2-pyridinyl)-7-[3-[3-[[1-(6-amino-3,5-difluoro-2-pyridinyl)-3-carboxy-8-chloro-6-fluoro-1,4-dihydro-4-oxo-7-quinolinyl]amino]-2-hydroxypropoxy]-1-azetidinyl]-8- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1093185-35-3.gif)
CAS RN: 1093185-35-3
3-quinolinecarboxylic acid, 1-(6-amino-3,5-difluoro-2-pyridinyl)-7-[3-[3-[[1-(6-amino-3,5-difluoro-2-pyridinyl)-3-carboxy-8-chloro-6-fluoro-1,4-dihydro-4-oxo-7-quinolinyl]amino]-2-hydroxypropoxy]-1-azetidinyl]-8-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260602 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1093185-35-3
- Purity/Analytical Methods: >99.0%
1093185-35-3 / 1-(6-amino-3,5-difluoro-2-pyridinyl)-7-[[3-[1-[1-(6-amino-3,5-difluoro-2-pyridinyl)-3-carboxy-8-chloro-6-fluoro-4-oxoquinolin-7-yl]azetidin-3-yl]oxy-2-hydroxypropyl]amino]-8-chloro-6-fluoro-4-oxoquinoline-3-carboxylic acid
1-(6-Amino-3,5-difluoropyridin-2-yl)-7-(3-(3-((1-(6-amino-3,5-difluoropyridin-2-yl)-3-carboxy-8-chloro-6-fluoro-4-oxo-1,4-dihydroquinolin-7-yl)amino)-2-hydroxypropoxy)azetidin-1-yl)-8-chloro-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid | 1-(6-Amino-3,5-difluoropyridin-2-yl)-7-(3-(3-((1-(6-amino-3,5-difluoropyridin-2-yl)-3-carboxy-8-chloro-6-fluoro-4-oxo-1,4-dihydroquinolin-7-yl)amino)-2-hydroxypropoxy)azetidin-1-yl)-8-chloro-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylicacid | 3-quinolinecarboxylic acid, 1-(6-amino-3,5-difluoro-2-pyridinyl)-7-[3-[3-[[1-(6-amino-3,5-difluoro-2-pyridinyl)-3-carboxy-8-chloro-6-fluoro-1,4-dihydro-4-oxo-7-quinolinyl]amino]-2-hydroxypropoxy]-1-azetidinyl]-8-chloro-6-fluoro-1,4-dihydro-4-oxo-
Basic Information
CAS
1093185-35-3
Multi CAS
Yes
Molecular Formula
C36H24Cl2F6N8O8
Molecular Weight
881.500000
Exact Mass
880.099834
SMILES
C1C(CN1C2=C(C=C3C(=C2Cl)N(C=C(C3=O)C(=O)O)C4=C(C=C(C(=N4)N)F)F)F)OCC(CNC5=C(C=C6C(=C5Cl)N(C=C(C6=O)C(=O)O)C7=C(C=C(C(=N7)N)F)F)F)O
InChI
InChI=1S/C36H24Cl2F6N8O8/c37-23-25(17(39)1-13-26(23)51(8-15(29(13)54)35(56)57)33-21(43)3-19(41)31(45)48-33)47-5-11(53)10-60-12-6-50(7-12)28-18(40)2-14-27(24(28)38)52(9-16(30(14)55)36(58)59)34-22(44)4-20(42)32(46)49-34/h1-4,8-9,11-12,47,53H,5-7,10H2,(H2,45,48)(H2,46,49)(H,56,57)(H,58,59)
InChIKey
COUGBHJOXUJZMT-UHFFFAOYSA-N
Synonyms
1-(6-Amino-3,5-difluoropyridin-2-yl)-7-(3-(3-((1-(6-amino-3,5-difluoropyridin-2-yl)-3-carboxy-8-chloro-6-fluoro-4-oxo-1,4-dihydroquinolin-7-yl)amino)-2-hydroxypropoxy)azetidin-1-yl)-8-chloro-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
1-(6-Amino-3,5-difluoropyridin-2-yl)-7-(3-(3-((1-(6-amino-3,5-difluoropyridin-2-yl)-3-carboxy-8-chloro-6-fluoro-4-oxo-1,4-dihydroquinolin-7-yl)amino)-2-hydroxypropoxy)azetidin-1-yl)-8-chloro-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylicacid
3-quinolinecarboxylic acid, 1-(6-amino-3,5-difluoro-2-pyridinyl)-7-[3-[3-[[1-(6-amino-3,5-difluoro-2-pyridinyl)-3-carboxy-8-chloro-6-fluoro-1,4-dihydro-4-oxo-7-quinolinyl]amino]-2-hydroxypropoxy]-1-azetidinyl]-8-chloro-6-fluoro-1,4-dihydro-4-oxo-
1-(6-amino-3,5-difluoropyridin-2-yl)-7-[[3-[1-[1-(6-amino-3,5-difluoropyridin-2-yl)-3-carboxy-8-chloro-6-fluoro-4-oxoquinolin-7-yl]azetidin-3-yl]oxy-2-hydroxypropyl]amino]-8-chloro-6-fluoro-4-oxoquinoline-3-carboxylic acid
1-(6-Amino-3,5-difluoropyridin-2-yl)-7-(3-(3-((1-(6-amino-3,5-difluoropyridin-2-yl)-3-carboxy-8-chloro-6-fluoro-4-oxo-1,4-dihydroquinolin-7-yl)amino)-2-hydroxypropoxy)azetidin-1-yl)-8-chloro-6-fluoro-
Computed Properties
Structural Parameters
Heavy atom count
60
Aromatic heavy atom count
32
Fraction Csp3
0.17
Rotatable bonds
11
H-bond acceptors
14
H-bond donors
6
Molar refractivity
203.64
TPSA
241.15
LogP / Solubility
WLOGP
4.47
MLOGP
4.01
XLogP3
5.7
Consensus LogP
4.73
Log S (ESOL)
-7.79
Class (ESOL)
Insoluble
Log S (Ali)
-10.01
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.42
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.93
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
6.5
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