CAS RN: 603097-44-5
2(1H)-Isoquinolineaceticacid,3,4-dihydro-alpha-oxo-(9CI)
- Product code: SSC-168888
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
603097-44-5 / 2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoacetic acid
Basic Information
CAS
603097-44-5
Multi CAS
No
Molecular Formula
C11H11NO3
Molecular Weight
205.210000
Exact Mass
205.073893
InChI
InChI=1S/C11H11NO3/c13-10(11(14)15)12-6-5-8-3-1-2-4-9(8)7-12/h1-4H,5-7H2,(H,14,15)
InChIKey
ZMNZNDCBLFJOSX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
53.2
TPSA
57.61
LogP / Solubility
WLOGP
0.66
MLOGP
0.58
XLogP3
1.2
Consensus LogP
0.81
Log S (ESOL)
-1.82
Class (ESOL)
Soluble
Log S (Ali)
-1.72
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.54
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
-
Di-μ-chlorotetrakis[2-(2-pyridinyl-kN)phenyl-kC]diiridium(III)
- CAS RN: 603109-48-4
- Product Code: starshine_CAS603109-48-4
- Purity/Analytical method: >99.0%
-
3-[[(2-FURYLMETHYL)AMINO]SULFONYL]BENZOIC ACID
- CAS RN: 603118-18-9
- Product Code: SSC-168894
-
3-METHOXY-4-METHOXYCARBONYLPHENYLBORONIC ACID, PINACOL ESTER
- CAS RN: 603122-40-3
- Product Code: SSC-168897
![CAS 603109-48-4 Di-μ-chlorotetrakis[2-(2-pyridinyl-kN)phenyl-kC]diiridium(III) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/603109-48-4.gif)
![CAS 603118-18-9 3-[[(2-FURYLMETHYL)AMINO]SULFONYL]BENZOIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB2423764.gif)
