Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
515131-52-9 / 5-amino-2-methylbenzamide
Basic Information
CAS
515131-52-9
Multi CAS
No
Molecular Formula
C8H10N2O
Molecular Weight
150.180000
Exact Mass
150.079313
InChI
InChI=1S/C8H10N2O/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4H,9H2,1H3,(H2,10,11)
InChIKey
ACIGYWHHYAYITM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
44.11
TPSA
69.11
LogP / Solubility
WLOGP
0.68
MLOGP
0.59
XLogP3
0.5
Consensus LogP
0.59
Log S (ESOL)
-1.53
Class (ESOL)
Soluble
Log S (Ali)
-1.28
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.32
Class (SILICOS-IT)
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)
-3.16
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-(Cyclopropylaminocarbonyl)phenylboronic acid
- CAS RN: 515140-26-8
- Product Code: SSC-158386
-
GW 803430
- CAS RN: 515141-51-2
- Product Code: starshine_CAS515141-51-2
- Purity/Analytical method: >99.0%
-
-
1H-Indazole-1,3-dicarboxylicacid,1-(1,1-diMethylethyl)ester
- CAS RN: 515148-19-3
- Product Code: SSC-158388
