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 | Shanghai | Inquiry |
802593-83-5 / (5-amino-2-methylphenyl)-phenylmethanone
Basic Information
CAS
802593-83-5
Multi CAS
No
Molecular Formula
C14H13NO
Molecular Weight
211.260000
Exact Mass
211.099714
InChI
InChI=1S/C14H13NO/c1-10-7-8-12(15)9-13(10)14(16)11-5-3-2-4-6-11/h2-9H,15H2,1H3
InChIKey
RQADOEBDTNZYLE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
65.47
TPSA
43.09
LogP / Solubility
WLOGP
2.81
MLOGP
2.47
XLogP3
2.9
Consensus LogP
2.73
Log S (ESOL)
-3.34
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.32
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
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.01
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 802598-74-9 3-hydrazinyl-6,7-dihydro-5H-benzo[6,7]cyclohepta[1,2-c]pyridazine molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
3-hydrazinyl-6,7-dihydro-5H-benzo[6,7]cyclohepta[1,2-c]pyridazine
- CAS RN: 802598-74-9
- Product Code: SSC-189193
-
-
1H-Imidazo[4,5-b]pyridine, 2-(2-aminoethyl)- (8CI)
- CAS RN: 802829-07-8
- Product Code: SSC-189204
-
-
-
7-Methyl-5-[(3-piperazin-1-ylMethyl)-1,2,4-oxadiazol-5-yl-]-2-[4-(trifluoroMethoxy)benzyl]-2,3-dihydro-1H-isoindol-1-one Methanesulphonate
- CAS RN: 802904-66-1
- Product Code: SSC-189215
![CAS 802598-74-9 3-hydrazinyl-6,7-dihydro-5H-benzo[6,7]cyclohepta[1,2-c]pyridazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/802598-74-9.gif)
![CAS 802829-07-8 1H-Imidazo[4,5-b]pyridine, 2-(2-aminoethyl)- (8CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/802829-07-8.gif)
![CAS 802902-36-9 3,4-a’]dinaphthalen-4-yl)dipropylaMine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/802902-36-9.gif)
![CAS 802904-66-1 7-Methyl-5-[(3-piperazin-1-ylMethyl)-1,2,4-oxadiazol-5-yl-]-2-[4-(trifluoroMethoxy)benzyl]-2,3-dihydro-1H-isoindol-1-one Methanesulphonate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/802904-66-1.gif)