CAS RN: 1378863-16-1
Benzenamine, 2-chloro-6-propoxy-
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.20251103 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1378863-16-1
- Purity/Analytical Methods: >99.0%
1378863-16-1 / 2-chloro-6-propoxyaniline
Basic Information
CAS
1378863-16-1
Multi CAS
No
Molecular Formula
C9H12ClNO
Molecular Weight
185.650000
Exact Mass
185.060742
SMILES
CCCOC1=C(C(=CC=C1)Cl)N
InChI
InChI=1S/C9H12ClNO/c1-2-6-12-8-5-3-4-7(10)9(8)11/h3-5H,2,6,11H2,1H3
InChIKey
IQCKYBIIVRXJHA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.65
TPSA
35.25
LogP / Solubility
WLOGP
2.71
MLOGP
2.38
XLogP3
2.7
Consensus LogP
2.6
Log S (ESOL)
-2.87
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.04
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.48
Class (SILICOS-IT)
Poorly 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)
-1.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
-
-
6′-Bromo-1’H-spiro[cyclopropane-1,3′-indole]-2′-one
- CAS RN: 1378865-57-6
- Product Code: SSC-047612
-
4-Methyl-2-(1,1,1-trifluoro-2-Methylpropan-2-yl)pyridine
- CAS RN: 1378865-93-0
- Product Code: SSC-047614
.gif)
![CAS 1378865-57-6 6′-Bromo-1’H-spiro[cyclopropane-1,3′-indole]-2′-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1378865-57-6.gif)
