CAS RN: 38153-01-4
NAPHTHALENE 1,4-DICARBOXALDEHYDE
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: starshine_CAS38153-01-4
- Purity/Analytical Methods: >99.0%
38153-01-4 / naphthalene-1,4-dicarbaldehyde
Basic Information
CAS
38153-01-4
Multi CAS
No
Molecular Formula
C12H8O2
Molecular Weight
184.190000
Exact Mass
184.052429
InChI
InChI=1S/C12H8O2/c13-7-9-5-6-10(8-14)12-4-2-1-3-11(9)12/h1-8H
InChIKey
XUFLAVKRRLBIMV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
54.72
TPSA
34.14
LogP / Solubility
WLOGP
2.46
MLOGP
2.17
XLogP3
2.3
Consensus LogP
2.31
Log S (ESOL)
-2.93
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.14
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
4-CHLORO-2-ISOPROPYL-QUINAZOLINE
- CAS RN: 38154-42-6
- Product Code: starshine_CAS38154-42-6
- Purity/Analytical method: >99.0%
-
-
(E)-Ethyl 3-(4-(benzyloxy)-3-Methoxyphenyl)acrylate
- CAS RN: 38157-08-3
- Product Code: SSC-145664
-
-
N-(2,6-DIETHYLPHENYL)MALEIMIDE
- CAS RN: 38167-72-5
- Product Code: starshine_CAS38167-72-5
- Purity/Analytical method: >99.0%
