CAS RN: 2567151-86-2
(S)-1-(3-Chlorophenyl)-2-methoxyethan-1-amine hydrochloride
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.20260518 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2567151-86-2
- Purity/Analytical Methods: >99.0%
2567151-86-2 / (1S)-1-(3-chlorophenyl)-2-methoxyethanamine;hydrochloride
Basic Information
CAS
2567151-86-2
Multi CAS
No
Molecular Formula
C9H13Cl2NO
Molecular Weight
222.110000
Exact Mass
221.037419
SMILES
COC[C@H](C1=CC(=CC=C1)Cl)N.Cl
InChI
InChI=1S/C9H12ClNO.ClH/c1-12-6-9(11)7-3-2-4-8(10)5-7;/h2-5,9H,6,11H2,1H3;1H/t9-;/m1./s1
InChIKey
YSMXRLXNRBJBHB-SBSPUUFOSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
57.5
TPSA
35.25
LogP / Solubility
WLOGP
2.41
MLOGP
2.12
XLogP3
2.41
Consensus LogP
2.31
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.12
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.46
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)
-2.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
![CAS 2567914-01-4 2(3H)-Benzoxazolone, 6-[[4-(1H-indol-5-ylcarbonyl)-1-piperazinyl]sulfonyl]- molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
2(3H)-Benzoxazolone, 6-[[4-(1H-indol-5-ylcarbonyl)-1-piperazinyl]sulfonyl]-
- CAS RN: 2567914-01-4
- Product Code: starshine_CAS2567914-01-4
- Purity/Analytical method: >99.0%
-
INDEX NAME NOT YET ASSIGNED
- CAS RN: 2567920-74-3
- Product Code: starshine_CAS2567920-74-3
- Purity/Analytical method: >99.0%
-
INDEX NAME NOT YET ASSIGNED
- CAS RN: 2568146-49-4
- Product Code: starshine_CAS2568146-49-4
- Purity/Analytical method: >99.0%
-
-
INDEX NAME NOT YET ASSIGNED
- CAS RN: 2568974-02-5
- Product Code: starshine_CAS2568974-02-5
- Purity/Analytical method: >99.0%
-
Benzenesulfonamide, 2,6-dimethoxy-N-[4-methoxy-6-(1H-pyrazol-1-ylmethyl)-1,2-benzisoxazol-3-yl]-
- CAS RN: 2569009-58-9
- Product Code: SSC-122107
![CAS 2567914-01-4 2(3H)-Benzoxazolone, 6-[[4-(1H-indol-5-ylcarbonyl)-1-piperazinyl]sulfonyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2567914-01-4.gif)
![CAS 2569009-58-9 Benzenesulfonamide, 2,6-dimethoxy-N-[4-methoxy-6-(1H-pyrazol-1-ylmethyl)-1,2-benzisoxazol-3-yl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2569009-58-9.gif)