CAS RN: 875902-97-9
2,4-dimethoxyisophthalaldehyde
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260513 | 200mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LIND926733
875902-97-9 / 2,4-dimethoxybenzene-1,3-dicarbaldehyde
Basic Information
CAS
875902-97-9
Multi CAS
No
Molecular Formula
C10H10O4
Molecular Weight
194.180000
Exact Mass
194.057909
InChI
InChI=1S/C10H10O4/c1-13-9-4-3-7(5-11)10(14-2)8(9)6-12/h3-6H,1-2H3
InChIKey
IFEHNGDBFMBCQW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
50.32
TPSA
52.6
LogP / Solubility
WLOGP
1.33
MLOGP
1.17
XLogP3
0.8
Consensus LogP
1.1
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-2.11
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.51
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)
-2.96
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
-
-
-
-
(R)-2-Amino-3-(2,4-difluorophenyl)propanoic acid
- CAS RN: 266360-60-5
- Product Code: SSC-124694
-
-
1-(sec-Butyl)-4-(4-(4-(4-hydroxyphenyl)piperazin-1-yl)phenyl)-1H-1,2,4-triazol-5(4H)-one
- CAS RN: 106461-41-0
- Product Code: SSC-008106
