CAS RN: 1006619-83-5
5-è-3-×ù-2-°±ù±×￡°·
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.20260331 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1006619-83-5
- Purity/Analytical Methods: >99.0%
1006619-83-5 / 2-amino-5-chloro-3-methylbenzamide
2-Amino-5-chloro-3-methylbenzamide | RefChem:255683 | Benzamide, 2-amino-5-chloro-3-methyl-
Basic Information
CAS
1006619-83-5
Multi CAS
No
Molecular Formula
C8H9ClN2O
Molecular Weight
184.620000
Exact Mass
184.040341
SMILES
CC1=CC(=CC(=C1N)C(=O)N)Cl
InChI
InChI=1S/C8H9ClN2O/c1-4-2-5(9)3-6(7(4)10)8(11)12/h2-3H,10H2,1H3,(H2,11,12)
InChIKey
GJPVEWHLNAWLNW-UHFFFAOYSA-N
Synonyms
2-Amino-5-chloro-3-methylbenzamide
RefChem:255683
Benzamide, 2-amino-5-chloro-3-methyl-
MFCD11044518
2-amino-5-chloro-3-methyl-benzamide
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
49.12
TPSA
69.11
LogP / Solubility
WLOGP
1.33
MLOGP
1.17
XLogP3
1.7
Consensus LogP
1.4
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.03
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.08
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)
-2.9
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
-
2-(3-CHLORO-BENZYL)-5-METHYL-2H-PYRAZOL-3-YLAMINE
- CAS RN: 1006682-91-2
- Product Code: starshine_CAS1006682-91-2
- Purity/Analytical method: >99.0%
-
3,8,9,10-tetrahydroxy urolithin
- CAS RN: 1006683-97-1
- Product Code: starshine_CAS1006683-97-1
- Purity/Analytical method: >99.0%
-
ethyl 8-forMyl-1,4-dioxaspiro[4.5]decane-8-carboxylate
- CAS RN: 1006686-08-3
- Product Code: starshine_CAS1006686-08-3
- Purity/Analytical method: >99.0%
-
-
(4R)-2-[2-[Bis[4-(trifluoromethyl)phenyl]phosphino]-5-(trifluoromethyl)phenyl]-4-tert-butyl-4,5-dihydrooxazole
- CAS RN: 1006708-91-3
- Product Code: SSC-001343
-
1,4,7,10-Tetraazacyclododecane-1,4,7-triacetic acid, 10-[2-[[2-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)ethyl]amino]-2-oxoethyl]-
- CAS RN: 1006711-90-5
- Product Code: SSC-001344
![CAS 1006686-08-3 ethyl 8-forMyl-1,4-dioxaspiro[4.5]decane-8-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1006686-08-3.gif)
![CAS 1006708-91-3 (4R)-2-[2-[Bis[4-(trifluoromethyl)phenyl]phosphino]-5-(trifluoromethyl)phenyl]-4-tert-butyl-4,5-dihydrooxazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1006708-91-3.gif)
![CAS 1006711-90-5 1,4,7,10-Tetraazacyclododecane-1,4,7-triacetic acid, 10-[2-[[2-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)ethyl]amino]-2-oxoethyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1006711-90-5.gif)