[email protected]
CAS 101894-09-1 2-Naphthalenecarboxylic acid, 4-hydroxy-6-methyl-1-(4-methylphenyl)- molecular structure lightbox
CAS RN: 101894-09-1

2-Naphthalenecarboxylic acid, 4-hydroxy-6-methyl-1-(4-methylphenyl)-

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250314 250mg / 1g / 5g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS101894-09-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

101894-09-1 / 4-hydroxy-6-methyl-1-(4-methylphenyl)naphthalene-2-carboxylic acid

4-Hydroxy-6-methyl-1-(p-tolyl)-2-naphthoic acid | SCHEMBL3163666 | 4-hydroxy-6-methyl-1-(4-methylphenyl)naphthalene-2-carboxylic acid

Standard CAS: 101894-09-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
101894-09-1
Multi CAS
No
Molecular Formula
C19H16O3
Molecular Weight
292.300000
Exact Mass
292.109944
SMILES
CC1=CC=C(C=C1)C2=C3C=CC(=CC3=C(C=C2C(=O)O)O)C
InChI
InChI=1S/C19H16O3/c1-11-3-6-13(7-4-11)18-14-8-5-12(2)9-15(14)17(20)10-16(18)19(21)22/h3-10,20H,1-2H3,(H,21,22)
InChIKey
YOYJPQCBFGNOJM-UHFFFAOYSA-N
Synonyms
4-Hydroxy-6-methyl-1-(p-tolyl)-2-naphthoic acid SCHEMBL3163666 4-hydroxy-6-methyl-1-(4-methylphenyl)naphthalene-2-carboxylic acid MFCD34601854 BS-48974

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
16
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
87.48
TPSA
57.53

LogP / Solubility

WLOGP
4.53
MLOGP
4
XLogP3
4.7
Consensus LogP
4.41
Log S (ESOL)
-4.91
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.56
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.29

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us