CAS RN: 851784-82-2
2-(tert-butoxycarbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid
- Product code: SSC-193391
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 10g, 5g, 25g
- Available purity: ≥98%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | ≥98% | 1 In Stock | Shanghai | Inquiry |
| 0.25g | ≥98% | 1 In Stock | Beijing | Inquiry |
| 1g | ≥98% | 1 In Stock | Hong Kong | Inquiry |
| 10g | ≥98% | 1 In Stock | Beijing | Inquiry |
| 5g | ≥98% | 0 Out of Stock | Shenzhen | Inquiry |
| 25g | ≥98% | 0 Out of Stock | Beijing | Inquiry |
851784-82-2 / 5,7-dichloro-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid
Basic Information
CAS
851784-82-2
Multi CAS
No
Molecular Formula
C15H17CL2NO4
Molecular Weight
346.200000
Exact Mass
345.053463
InChI
InChI=1S/C15H17Cl2NO4/c1-15(2,3)22-14(21)18-5-4-9-8(7-18)6-10(16)11(12(9)17)13(19)20/h6H,4-5,7H2,1-3H3,(H,19,20)
InChIKey
JXBQRXIJBFUZMR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
83.77
TPSA
66.84
LogP / Solubility
WLOGP
3.98
MLOGP
3.52
XLogP3
3.4
Consensus LogP
3.63
Log S (ESOL)
-4.63
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.34
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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![CAS 851814-17-0 2-CHLORO-N-[[5-(4-CHLOROPHENYL)-2-FURYL]METHYL]ACETAMIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB1163702.gif)
