CAS RN: 2177264-60-5
(S)-2-Amino-3-(3-methanesulfonyl-phenyl)-propionic acid 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.20260119 | 1g / 5g / 25g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-105098
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: 1g
- Available purity: ＞97%
- 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 |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
2177264-60-5 / (2S)-2-amino-3-(3-methylsulfonylphenyl)propanoic acid;hydrochloride
Basic Information
CAS
2177264-60-5
Multi CAS
No
Molecular Formula
C10H14ClNO4S
Molecular Weight
279.740000
Exact Mass
279.033207
SMILES
CS(=O)(=O)C1=CC=CC(=C1)C[C@@H](C(=O)O)N.Cl
InChI
InChI=1S/C10H13NO4S.ClH/c1-16(14,15)8-4-2-3-7(5-8)6-9(11)10(12)13;/h2-5,9H,6,11H2,1H3,(H,12,13);1H/t9-;/m0./s1
InChIKey
SODPTEIBYBFURE-FVGYRXGTSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
66.12
TPSA
97.46
LogP / Solubility
WLOGP
0.47
MLOGP
0.42
XLogP3
0.47
Consensus LogP
0.45
Log S (ESOL)
-1.87
Class (ESOL)
Soluble
Log S (Ali)
-2.19
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.35
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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