![CAS 272442-27-0 5-BENZYL-4,5,6,7-TETRAHYDRO-1H-PYRROLO[3,2-C]PYRIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB2322410.gif)
CAS RN: 272442-27-0
5-BENZYL-4,5,6,7-TETRAHYDRO-1H-PYRROLO[3,2-C]PYRIDINE
Product Availability
Choose a grade to view its available package options.
3 package records2 with current stock1 grade group
- Product code: SSC-126184
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, 5g, 10g
- Available purity: >95%
- Inventory rows with stock: 5
- 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 | >95% | 1 In Stock | Shanghai | Inquiry |
| 0.25g | >95% | 1 In Stock | Hong Kong | Inquiry |
| 1g | >95% | 1 In Stock | Beijing | Inquiry |
| 5g | >95% | 1 In Stock | Hong Kong | Inquiry |
| 10g | >95% | 1 In Stock | Beijing | Inquiry |
272442-27-0 / 5-benzyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
Basic Information
CAS
272442-27-0
Multi CAS
No
Molecular Formula
C14H16N2
Molecular Weight
212.290000
Exact Mass
212.131349
SMILES
C1CN(CC2=C1NC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C14H16N2/c1-2-4-12(5-3-1)10-16-9-7-14-13(11-16)6-8-15-14/h1-6,8,15H,7,9-11H2
InChIKey
RRLDTKNWNRBUBK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
11
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
65.05
TPSA
19.03
LogP / Solubility
WLOGP
2.57
MLOGP
2.27
XLogP3
2.1
Consensus LogP
2.31
Log S (ESOL)
-3.15
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.16
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.42
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.19
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 272442-28-1 1H-Pyrrolo[3,2-c]pyridine,5-ethyl-4,5,6,7-tetrahydro-(9CI) molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
1H-Pyrrolo[3,2-c]pyridine,5-ethyl-4,5,6,7-tetrahydro-(9CI)
- CAS RN: 272442-28-1
- Product Code: SSC-126185
-
2-[(2S)-3-chloro-2-hydroxypropoxy]isoindole-1,3-dione
- CAS RN: 272447-40-2
- Product Code: SSC-126186
-
FLUBENDIAMIDE
- CAS RN: 272451-65-7
- Product Code: starshine_CAS272451-65-7
- Purity/Analytical method: >99.0%
-
Methyl (S)-2-(4-Hydroxyisoxazolidine-2-carbonyl)benzoate
- CAS RN: 272459-61-7
- Product Code: SSC-126188
-
Difunctional Ketosulphone
- CAS RN: 272460-97-6
- Product Code: starshine_CAS272460-97-6
- Purity/Analytical method: >99.0%
-
3-Bromo-5-isoxazolecarboxylic acidmethylester
- CAS RN: 272773-11-2
- Product Code: SSC-126237
![CAS 272442-28-1 1H-Pyrrolo[3,2-c]pyridine,5-ethyl-4,5,6,7-tetrahydro-(9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/272442-28-1.gif)
![CAS 272447-40-2 2-[(2S)-3-chloro-2-hydroxypropoxy]isoindole-1,3-dione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/272447-40-2.gif)
