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: ≥98%
- 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 | ≥98% | 0 Out of Stock | Hong Kong | Inquiry |
3708-39-2 / bis[4-(methylamino)phenyl]methanone
Basic Information
CAS
3708-39-2
Multi CAS
Yes
Molecular Formula
C15H16N2O
Molecular Weight
240.300000
Exact Mass
240.126263
InChI
InChI=1S/C15H16N2O/c1-16-13-7-3-11(4-8-13)15(18)12-5-9-14(17-2)10-6-12/h3-10,16-17H,1-2H3
InChIKey
HXTBYXIZCDULQI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
75.41
TPSA
41.13
LogP / Solubility
WLOGP
3
MLOGP
2.65
XLogP3
3.6
Consensus LogP
3.08
Log S (ESOL)
-3.45
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.7
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.19
Class (SILICOS-IT)
Slightly 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)
-2.06
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
-
-
-
N,N-Bis(3-chlorobenzyl)amine
- CAS RN: 129041-31-2
- Product Code: ICTB1793
- Purity/Analytical method: >98.0%(GC)
-
-
-
1-Amino-2-methylanthraquinone
- CAS RN: 82-28-0
- Product Code: ICTA1255
- Purity/Analytical method: >90.0%(N)
