CAS RN: 1213645-36-3
(S)-3-AMINO-3-P-TOLYL-PROPAN-1-OL
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250717 | 0.5g / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1213645-36-3
- Purity/Analytical Methods: >99.0%
1213645-36-3 / (3S)-3-amino-3-(4-methylphenyl)propan-1-ol
3-amino-3-(4-methylphenyl)propan-1-ol | DTXSID30590424 | RefChem:276408
Basic Information
CAS
1213645-36-3
Multi CAS
Yes
Molecular Formula
C10H15NO
Molecular Weight
165.230000
Exact Mass
165.115364
SMILES
CC1=CC=C(C=C1)[C@H](CCO)N
InChI
InChI=1S/C10H15NO/c1-8-2-4-9(5-3-8)10(11)6-7-12/h2-5,10,12H,6-7,11H2,1H3/t10-/m0/s1
InChIKey
DLRHJVGOQVPPGF-JTQLQIEISA-N
Synonyms
3-amino-3-(4-methylphenyl)propan-1-ol
DTXSID30590424
RefChem:276408
DTXCID80541188
3-amino-3-p-tolylpropan-1-ol
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
49.81
TPSA
46.25
LogP / Solubility
WLOGP
1.38
MLOGP
1.21
XLogP3
0.9
Consensus LogP
1.16
Log S (ESOL)
-1.9
Class (ESOL)
Soluble
Log S (Ali)
-1.91
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.24
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.75
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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