CAS RN: 2170760-93-5
(1R)-2,2-DIMETHYL-1-(5-METHYLFURAN-2-YL)PROPAN-1-AMINE HCl
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.20260207 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2170760-93-5
- Purity/Analytical Methods: >99.0%
2170760-93-5 / (1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propan-1-amine;hydrochloride
Basic Information
CAS
2170760-93-5
Multi CAS
No
Molecular Formula
C10H18ClNO
Molecular Weight
203.710000
Exact Mass
203.107692
SMILES
CC1=CC=C(O1)[C@@H](C(C)(C)C)N.Cl
InChI
InChI=1S/C10H17NO.ClH/c1-7-5-6-8(12-7)9(11)10(2,3)4;/h5-6,9H,11H2,1-4H3;1H/t9-;/m0./s1
InChIKey
BJFVIVHEQCLSHF-FVGYRXGTSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
57.08
TPSA
39.16
LogP / Solubility
WLOGP
3.06
MLOGP
2.69
XLogP3
3.06
Consensus LogP
2.94
Log S (ESOL)
-3.25
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.44
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.64
Class (SILICOS-IT)
Poorly 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)
-1.79
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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