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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
7763-96-4 / 1,3-diphenylpropan-2-amine;hydrochloride
Basic Information
CAS
7763-96-4
Multi CAS
Yes
Molecular Formula
C15H18CLN
Molecular Weight
247.760000
Exact Mass
247.112777
InChI
InChI=1S/C15H17N.ClH/c16-15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14;/h1-10,15H,11-12,16H2;1H
InChIKey
SNTFEJUFBPIDON-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
75.52
TPSA
26.02
LogP / Solubility
WLOGP
3.22
MLOGP
2.84
XLogP3
3.22
Consensus LogP
3.09
Log S (ESOL)
-3.66
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.92
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.42
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)
-1.94
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-(4-methoxyphenyl)acrylamide
- CAS RN: 7766-37-2
- Product Code: starshine_CAS7766-37-2
- Purity/Analytical method: >99.0%
-
N-(4-nitrophenyl)acrylamide
- CAS RN: 7766-38-3
- Product Code: starshine_CAS7766-38-3
- Purity/Analytical method: >99.0%
-
-
