CAS RN: 65410-80-2
RARECHEM AL BO 1579
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.20250812 | 50mg / 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS65410-80-2
- Purity/Analytical Methods: >99.0%
65410-80-2 / 2,4-dichloro-6-methylbenzoic acid
Basic Information
CAS
65410-80-2
Multi CAS
Yes
Molecular Formula
C8H6CL2O2
Molecular Weight
205.030000
Exact Mass
203.974485
InChI
InChI=1S/C8H6Cl2O2/c1-4-2-5(9)3-6(10)7(4)8(11)12/h2-3H,1H3,(H,11,12)
InChIKey
MHFZUPIEEGLIDF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
48.16
TPSA
37.3
LogP / Solubility
WLOGP
3
MLOGP
2.64
XLogP3
3.1
Consensus LogP
2.91
Log S (ESOL)
-3.31
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.41
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.6
Class (SILICOS-IT)
Poorly 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)
-1.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
TETRABUTYLAMMONIUM METHANESULFONATE
- CAS RN: 65411-49-6
- Product Code: starshine_CAS65411-49-6
- Purity/Analytical method: >99.0%
-
-
-
-
2-Amino-5-isopropyl-thiophene-3-carboxylic acid ethyl ester
- CAS RN: 65416-85-5
- Product Code: SSC-175083
-
