CAS RN: 2115897-23-7
(S,S,S)-AHPC HYDROCHLORIDE
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250712 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20260525 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
| Batchno.20260107 | 1g | Out of stock | Inquiry | |
| Batchno.20250606 | 250mg | Out of stock | Inquiry | |
| Batchno.20260221 | 5g | In stock | Shanghai | Inquiry |
- Product code: SSC-101070
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 | Hong Kong | Inquiry |
2115897-23-7 / (2S,4S)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
Basic Information
CAS
2115897-23-7
Multi CAS
No
Molecular Formula
C22H31ClN4O3S
Molecular Weight
467.000000
Exact Mass
466.180540
SMILES
CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)[C@@H]3C[C@@H](CN3C(=O)[C@H](C(C)(C)C)N)O.Cl
InChI
InChI=1S/C22H30N4O3S.ClH/c1-13-18(30-12-25-13)15-7-5-14(6-8-15)10-24-20(28)17-9-16(27)11-26(17)21(29)19(23)22(2,3)4;/h5-8,12,16-17,19,27H,9-11,23H2,1-4H3,(H,24,28);1H/t16-,17-,19+;/m0./s1
InChIKey
JYRTWGCWUBURGU-ITJMAPPJSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
11
Fraction Csp3
0.5
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
3
Molar refractivity
124.94
TPSA
108.55
LogP / Solubility
WLOGP
2.49
MLOGP
2.22
XLogP3
2.49
Consensus LogP
2.4
Log S (ESOL)
-4.24
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.36
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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