CAS RN: 3684-12-6
ANILINO(PHENYL)ACETIC 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.20260128 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS3684-12-6
- Purity/Analytical Methods: >99.0%
3684-12-6 / 2-anilino-2-phenylacetic acid
Basic Information
CAS
3684-12-6
Multi CAS
No
Molecular Formula
C14H13NO2
Molecular Weight
227.260000
Exact Mass
227.094629
InChI
InChI=1S/C14H13NO2/c16-14(17)13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10,13,15H,(H,16,17)
InChIKey
NFEVMRNCAGDLBK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
66.88
TPSA
49.33
LogP / Solubility
WLOGP
2.92
MLOGP
2.58
XLogP3
3.2
Consensus LogP
2.9
Log S (ESOL)
-3.35
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.53
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.04
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
(R)-2,2μ-Diamino-6,6μ-dimethylbiphenyl, (R)-6,6μ-Dimethyl-2,2μ-diaminobiphenyl, (R)-6,6μ-Dimethyl-1,1μ-biphenyl-2,2μ-diamine, (R)-6,6μ-Dimethyl-1,1μ-biphenyl-2,2μ-diyldiamine
- CAS RN: 3685-06-1
- Product Code: starshine_CAS3685-06-1
- Purity/Analytical method: >99.0%
-
-
-
-
Naringenin triacetate
- CAS RN: 3682-04-0
- Product Code: starshine_CAS3682-04-0
- Purity/Analytical method: >99.0%
-
.gif)
