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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
2055848-72-9 / (2S)-2-amino-3,3-difluoropropan-1-ol;hydrochloride
Basic Information
CAS
2055848-72-9
Multi CAS
No
Molecular Formula
C3H8ClF2NO
Molecular Weight
147.550000
Exact Mass
147.026248
SMILES
C([C@@H](C(F)F)N)O.Cl
InChI
InChI=1S/C3H7F2NO.ClH/c4-3(5)2(6)1-7;/h2-3,7H,1,6H2;1H/t2-;/m0./s1
InChIKey
HQSKPMOOHUYKAI-DKWTVANSSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
28.31
TPSA
46.25
LogP / Solubility
WLOGP
-0.01
MLOGP
-0.01
XLogP3
-0.01
Consensus LogP
-0.01
Log S (ESOL)
-0.62
Class (ESOL)
Very soluble
Log S (Ali)
-0.76
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.85
Class (SILICOS-IT)
Very 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)
-3.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
![CAS 2055848-74-1 4,4-dimethyl-1-[(1R)-1-phenylethyl]pyrrolidine-2,3,5-trione molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
4,4-dimethyl-1-[(1R)-1-phenylethyl]pyrrolidine-2,3,5-trione
- CAS RN: 2055848-74-1
- Product Code: SSC-096818
-
1-Piperidinecarboxylic acid, 3-amino-4,4-difluoro-, 1,1-dimethylethyl ester, (3S)-
- CAS RN: 2055848-75-2
- Product Code: SSC-096819
-
TERT-BUTYL (5S)-5-AMINO-3,3-DIFLUOROPIPERIDINE-1-CARBOXYLATE
- CAS RN: 2055848-76-3
- Product Code: SSC-096820
-
(3S)-7-BROMO-2,3-DIHYDRO-1-BENZOFURAN-3-AMINE HYDROCHLORIDE
- CAS RN: 2055848-77-4
- Product Code: SSC-096821
-
(3S)-7-CHLORO-2,3-DIHYDRO-1-BENZOFURAN-3-AMINE HYDROCHLORIDE
- CAS RN: 2055848-78-5
- Product Code: starshine_CAS2055848-78-5
- Purity/Analytical method: >99.0%
-
(S)-1-(2,6-DICHLOROPHENYL)ETHANAMINE-HCL
- CAS RN: 2055848-81-0
- Product Code: starshine_CAS2055848-81-0
- Purity/Analytical method: >99.0%
![CAS 2055848-74-1 4,4-dimethyl-1-[(1R)-1-phenylethyl]pyrrolidine-2,3,5-trione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2055848-74-1.gif)
