CAS RN: 703402-21-5
Benzenemethanamine,a-methyl-4-(phenylmethoxy)-, (aR)
- Product code: SSC-180148
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 | Hong Kong | Inquiry |
703402-21-5 / 1-(4-phenylmethoxyphenyl)ethanamine
Basic Information
CAS
703402-21-5
Multi CAS
Yes
Molecular Formula
C15H17NO
Molecular Weight
227.300000
Exact Mass
227.131014
InChI
InChI=1S/C15H17NO/c1-12(16)14-7-9-15(10-8-14)17-11-13-5-3-2-4-6-13/h2-10,12H,11,16H2,1H3/t12-/m1/s1
InChIKey
QMDCQFSPDUEVRF-GFCCVEGCSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
69.82
TPSA
35.25
LogP / Solubility
WLOGP
3.29
MLOGP
2.89
XLogP3
3
Consensus LogP
3.06
Log S (ESOL)
-3.58
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.8
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.34
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)
-1.77
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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- Purity/Analytical method: >99.0%
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