CAS RN: 14748-94-8
1,4-dihydroxy-3-methyl-2-naphthyl 4-aminobenzoate
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.20251224 | 1mg / 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS14748-94-8
- Purity/Analytical Methods: >99.0%
14748-94-8 / (1,4-dihydroxy-3-methylnaphthalen-2-yl) 4-aminobenzoate
Basic Information
CAS
14748-94-8
Multi CAS
No
Molecular Formula
C18H15NO4
Molecular Weight
309.300000
Exact Mass
309.100108
SMILES
CC1=C(C2=CC=CC=C2C(=C1OC(=O)C3=CC=C(C=C3)N)O)O
InChI
InChI=1S/C18H15NO4/c1-10-15(20)13-4-2-3-5-14(13)16(21)17(10)23-18(22)11-6-8-12(19)9-7-11/h2-9,20-21H,19H2,1H3
InChIKey
YLMPBJUYFTWHKJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
16
Fraction Csp3
0.06
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
3
Molar refractivity
87.83
TPSA
92.78
LogP / Solubility
WLOGP
3.36
MLOGP
2.97
XLogP3
3.6
Consensus LogP
3.31
Log S (ESOL)
-4.26
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.52
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.7
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Environmental Hazard
Signal
Warning
GHS Hazard Statements
H400 (97.4%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement Codes
P273, P391, and P501
Customers Also Viewed
-
Nickel(2+), tris(2,2′-bipyridine-κN1,κN1′)-, chloride (1:2), (OC-6-11)-
- CAS RN: 14751-84-9
- Product Code: SSC-058130
-
-
-
-
3-HYDROXY-1,5-NAPHTHYRIDINE
- CAS RN: 14756-78-6
- Product Code: starshine_CAS14756-78-6
- Purity/Analytical method: >99.0%
-
![CAS 14756-75-3 THIENO[2,3-B]THIOPHENE-2-CARBOXYLIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/14756-75-3.gif)
