CAS RN: 46834-56-4
(-)-4′-CHLOROTARTRANILIC ACID
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.20250518 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS46834-56-4
- Purity/Analytical Methods: >99.0%
46834-56-4 / 4-(4-chloroanilino)-2,3-dihydroxy-4-oxobutanoic acid
Basic Information
CAS
46834-56-4
Multi CAS
Yes
Molecular Formula
C10H10CLNO5
Molecular Weight
259.640000
Exact Mass
259.024750
InChI
InChI=1S/C10H10ClNO5/c11-5-1-3-6(4-2-5)12-9(15)7(13)8(14)10(16)17/h1-4,7-8,13-14H,(H,12,15)(H,16,17)/t7-,8-/m0/s1
InChIKey
JLBJYGCSAOHRPK-YUMQZZPRSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
4
Molar refractivity
59.73
TPSA
106.86
LogP / Solubility
WLOGP
0.08
MLOGP
0.08
XLogP3
0.6
Consensus LogP
0.25
Log S (ESOL)
-1.5
Class (ESOL)
Soluble
Log S (Ali)
-1.75
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.9
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.24
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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