CAS RN: 4712-36-1
1-PROPANOL-D1
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250115 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS4712-36-1
- Purity/Analytical Methods: >99.0%
4712-36-1 / 1-deuteriooxypropane
Basic Information
CAS
4712-36-1
Multi CAS
Yes
Molecular Formula
C3H8O
Molecular Weight
61.100000
Exact Mass
61.063792
InChI
InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3/i4D
InChIKey
BDERNNFJNOPAEC-QYKNYGDISA-N
Computed Properties
Structural Parameters
Heavy atom count
4
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
17.38
TPSA
20.23
LogP / Solubility
WLOGP
0.39
MLOGP
0.33
XLogP3
0.3
Consensus LogP
0.34
Log S (ESOL)
-0.39
Class (ESOL)
Very soluble
Log S (Ali)
-0.33
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.49
Class (SILICOS-IT)
Very 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)
-2.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1
Customers Also Viewed
-
-
ANDROMEDOTOXIN
- CAS RN: 4720-09-6
- Product Code: starshine_CAS4720-09-6
- Purity/Analytical method: >99.0%
-
-
-
4-AMINOTHIOBENZAMIDE
- CAS RN: 4714-67-4
- Product Code: starshine_CAS4714-67-4
- Purity/Analytical method: >99.0%
-
4-ETHOXY-6-METHYLPYRIMIDINE
- CAS RN: 4718-50-7
- Product Code: starshine_CAS4718-50-7
- Purity/Analytical method: >99.0%
