CAS RN: 3981-36-0
3-chloroalanine
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.20250106 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS3981-36-0
- Purity/Analytical Methods: >99.0%
3981-36-0 / 2-amino-3-chloropropanoic acid
Basic Information
CAS
3981-36-0
Multi CAS
Yes
Molecular Formula
C3H6CLNO2
Molecular Weight
123.540000
Exact Mass
123.008706
InChI
InChI=1S/C3H6ClNO2/c4-1-2(5)3(6)7/h2H,1,5H2,(H,6,7)
InChIKey
ASBJGPTTYPEMLP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
26.33
TPSA
63.32
LogP / Solubility
WLOGP
-0.36
MLOGP
-0.33
XLogP3
-2.8
Consensus LogP
-1.16
Log S (ESOL)
-0.25
Class (ESOL)
Very soluble
Log S (Ali)
-0.31
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.4
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)
-3.73
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
2
Customers Also Viewed
-
2-Vinyl-1,3-dioxolane
- CAS RN: 3984-22-3
- Product Code: starshine_CAS3984-22-3
- Purity/Analytical method: >99.0%
-
-
methyllinderone
- CAS RN: 3984-73-4
- Product Code: starshine_CAS3984-73-4
- Purity/Analytical method: >99.0%
-
-
9-ALLYLCARBAZOLE
- CAS RN: 3998-04-7
- Product Code: starshine_CAS3998-04-7
- Purity/Analytical method: >99.0%
-
(9Z,12Z)-octadeca-9,12-dien-1-amide
- CAS RN: 3999-01-7
- Product Code: starshine_CAS3999-01-7
- Purity/Analytical method: >99.0%
.gif)
.gif)
.gif)