CAS RN: 14758-99-7
RARECHEM AL BO 1277
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.20250606 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS14758-99-7
- Purity/Analytical Methods: >99.0%
14758-99-7 / 2-(dimethylamino)-2-phenylacetic acid
Basic Information
CAS
14758-99-7
Multi CAS
No
Molecular Formula
C10H13NO2
Molecular Weight
179.220000
Exact Mass
179.094629
SMILES
CN(C)C(C1=CC=CC=C1)C(=O)O
InChI
InChI=1S/C10H13NO2/c1-11(2)9(10(12)13)8-6-4-3-5-7-8/h3-7,9H,1-2H3,(H,12,13)
InChIKey
MLOBRLOZPSSKKO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
50.51
TPSA
40.54
LogP / Solubility
WLOGP
1.37
MLOGP
1.21
XLogP3
-0.7
Consensus LogP
0.63
Log S (ESOL)
-1.96
Class (ESOL)
Soluble
Log S (Ali)
-2.02
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.33
Class (SILICOS-IT)
Moderately 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)
-2.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
-
-
Gibbsite (Al(OH)3)
- CAS RN: 14762-49-3
- Product Code: starshine_CAS14762-49-3
- Purity/Analytical method: >99.0%
-
CARBON-13C
- CAS RN: 14762-74-4
- Product Code: starshine_CAS14762-74-4
- Purity/Analytical method: >99.0%
-
(3-chlorophenyl)hydrazine
- CAS RN: 14763-20-3
- Product Code: starshine_CAS14763-20-3
- Purity/Analytical method: >99.0%
-
