![CAS 162763-53-3 4H-Quinolizine-3-carboxylicacid, 8-[(3S)-3-amino-1-pyrrolidinyl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-,hydrochloride (1:1) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/162763-53-3.gif)
CAS RN: 162763-53-3
4H-Quinolizine-3-carboxylicacid, 8-[(3S)-3-amino-1-pyrrolidinyl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-,hydrochloride (1:1)
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.20251214 | 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS162763-53-3
- Purity/Analytical Methods: >99.0%
162763-53-3 / 8-[(3S)-3-aminopyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid;hydrochloride
Basic Information
CAS
162763-53-3
Multi CAS
No
Molecular Formula
C18H21ClFN3O3
Molecular Weight
381.800000
Exact Mass
381.125547
SMILES
CC1=C(C(=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)F)N4CC[C@@H](C4)N.Cl
InChI
InChI=1S/C18H20FN3O3.ClH/c1-9-15-12(10-2-3-10)6-13(18(24)25)17(23)22(15)8-14(19)16(9)21-5-4-11(20)7-21;/h6,8,10-11H,2-5,7,20H2,1H3,(H,24,25);1H/t11-;/m0./s1
InChIKey
OMXXLAGAHWXLSP-MERQFXBCSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
10
Fraction Csp3
0.44
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
99.35
TPSA
88.04
LogP / Solubility
WLOGP
2.28
MLOGP
2.03
XLogP3
2.28
Consensus LogP
2.2
Log S (ESOL)
-3.73
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.34
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.4
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.43
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
-
1-(3,5-Bis(trifluoromethyl)phenyl)cyclopentanecarboxylic acid
- CAS RN: 162781-05-7
- Product Code: SSC-070160
-
7-Epi-10-oxo-docetaxel (Docetaxel Impurity D)
- CAS RN: 162784-72-7
- Product Code: starshine_CAS162784-72-7
- Purity/Analytical method: >99.0%
-
-
-
-
