CAS RN: 621-68-1
n-propylbis(2-chloroethyl)amine
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.20260307 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS621-68-1
- Purity/Analytical Methods: >99.0%
621-68-1 / N,N-bis(2-chloroethyl)propan-1-amine
Basic Information
CAS
621-68-1
Multi CAS
Yes
Molecular Formula
C7H15CL2N
Molecular Weight
184.100000
Exact Mass
183.058155
InChI
InChI=1S/C7H15Cl2N/c1-2-5-10(6-3-8)7-4-9/h2-7H2,1H3
InChIKey
XPOTXXGDCPYFGR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
6
H-bond acceptors
1
Molar refractivity
48.17
TPSA
3.24
LogP / Solubility
WLOGP
2.18
MLOGP
1.91
XLogP3
2.3
Consensus LogP
2.13
Log S (ESOL)
-1.96
Class (ESOL)
Soluble
Log S (Ali)
-2.64
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.38
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)
-2.3
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
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