CAS RN: 38560-96-2
2-CHLORO-1,3-DIMETHYL-5-NITROBENZENE
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.20251231 | 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS38560-96-2
- Purity/Analytical Methods: >99.0%
38560-96-2 / 2-chloro-1,3-dimethyl-5-nitrobenzene
Basic Information
CAS
38560-96-2
Multi CAS
No
Molecular Formula
C8H8CLNO2
Molecular Weight
185.610000
Exact Mass
185.024356
InChI
InChI=1S/C8H8ClNO2/c1-5-3-7(10(11)12)4-6(2)8(5)9/h3-4H,1-2H3
InChIKey
XOTLSEJRAUKAPO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
47.58
TPSA
43.14
LogP / Solubility
WLOGP
2.87
MLOGP
2.52
XLogP3
3.1
Consensus LogP
2.83
Log S (ESOL)
-3.1
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.15
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.36
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)
-1.82
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-Octenedioic acid
- CAS RN: 38561-68-1
- Product Code: starshine_CAS38561-68-1
- Purity/Analytical method: >99.0%
-
3-PERFLUORODECYL-1,2-EPOXYPROPANE
- CAS RN: 38565-54-7
- Product Code: starshine_CAS38565-54-7
- Purity/Analytical method: >99.0%
-
H-ILE-TYR-OH
- CAS RN: 38579-21-4
- Product Code: starshine_CAS38579-21-4
- Purity/Analytical method: >99.0%
-
LYS-TRP-LYS ACETATE
- CAS RN: 38579-27-0
- Product Code: starshine_CAS38579-27-0
- Purity/Analytical method: >99.0%
-
-
