CAS RN: 103460-87-3
3-Quinolinecarboxylic acid, 1-cyclopropyl-6,8-difluoro-1,4-dihydro-7-(3-Methyl-1-piperazinyl)-4-oxo-, ethyl ester
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250829 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS103460-87-3
- Purity/Analytical Methods: >99.0%
103460-87-3 / ethyl 1-cyclopropyl-6,8-difluoro-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylate
Ethyl (S)-1-cyclopropyl-6,8-difluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylate
Basic Information
CAS
103460-87-3
Multi CAS
Yes
Molecular Formula
C20H23F2N3O3
Molecular Weight
391.400000
Exact Mass
391.170748
SMILES
CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)N3CCNC(C3)C)F)C4CC4
InChI
InChI=1S/C20H23F2N3O3/c1-3-28-20(27)14-10-25(12-4-5-12)17-13(19(14)26)8-15(21)18(16(17)22)24-7-6-23-11(2)9-24/h8,10-12,23H,3-7,9H2,1-2H3
InChIKey
GYZIKBVCDQFOAS-UHFFFAOYSA-N
Synonyms
Ethyl (S)-1-cyclopropyl-6,8-difluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylate
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
10
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
102.03
TPSA
63.57
LogP / Solubility
WLOGP
2.59
MLOGP
2.3
XLogP3
1.8
Consensus LogP
2.23
Log S (ESOL)
-3.9
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.64
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.83
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.27
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
Customers Also Viewed
-
8-Demethoxy-8-fluoro Gatifloxacin
- CAS RN: 103460-89-5
- Product Code: starshine_CAS103460-89-5
- Purity/Analytical method: >99.0%
-
YTTRIUM(III) 2-ETHYLHEXANOATE, 10% W/V IN N-HEXANE
- CAS RN: 103470-68-4
- Product Code: starshine_CAS103470-68-4
- Purity/Analytical method: >99.0%
-
-
Tepoxalin
- CAS RN: 103475-41-8
- Product Code: starshine_CAS103475-41-8
- Purity/Analytical method: >99.0%
-
(DL-3-HYDROXY-3-METHYLGLUTARYL) COENZYM&
- CAS RN: 103476-21-7
- Product Code: starshine_CAS103476-21-7
- Purity/Analytical method: >99.0%
-
(2R)-1-ACETYL-2,3-DIHYDRO-1H-INDOLE-2-CARBOXYLIC ACID
- CAS RN: 103476-80-8
- Product Code: SSC-005015
