![CAS 81123-45-7 4-[AMINO(PHENYL)METHYL]PHENOL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/81123-45-7.gif)
CAS RN: 81123-45-7
4-[AMINO(PHENYL)METHYL]PHENOL
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260614 | 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-189672
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g
- Available purity: >97%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
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81123-45-7 / 4-[amino(phenyl)methyl]phenol
Basic Information
CAS
81123-45-7
Multi CAS
No
Molecular Formula
C13H13NO
Molecular Weight
199.250000
Exact Mass
199.099714
InChI
InChI=1S/C13H13NO/c14-13(10-4-2-1-3-5-10)11-6-8-12(15)9-7-11/h1-9,13,15H,14H2
InChIKey
SORXTEGDLMCGFT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
60.58
TPSA
46.25
LogP / Solubility
WLOGP
2.44
MLOGP
2.15
XLogP3
2.1
Consensus LogP
2.23
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.96
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.22
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
