CAS RN: 2341796-77-6
VH 032-linker 8
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.20251028 | 25mg | Out of stock | 15 business days | Inquiry |
- Product code: SSC-113186
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 0.05g
- Available purity: >95%
- Inventory rows with stock: 5
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | >95% | 2 In Stock | Hong Kong | Inquiry |
| 0.25g | >95% | 2 In Stock | Hong Kong | Inquiry |
| 0.05g | -- | 1 In Stock | Beijing | Inquiry |
| 0.1g | -- | 1 In Stock | Hong Kong | Inquiry |
| 0.25g | -- | 1 In Stock | Shanghai | Inquiry |
2341796-77-6 / (2S,4R)-1-[(2S)-2-(7-aminoheptanoylamino)-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
Basic Information
CAS
2341796-77-6
Multi CAS
No
Molecular Formula
C29H44ClN5O4S
Molecular Weight
594.200000
Exact Mass
593.280254
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)NC(=O)CCCCCCN)O.Cl
InChI
InChI=1S/C29H43N5O4S.ClH/c1-19-25(39-18-32-19)21-12-10-20(11-13-21)16-31-27(37)23-15-22(35)17-34(23)28(38)26(29(2,3)4)33-24(36)9-7-5-6-8-14-30;/h10-13,18,22-23,26,35H,5-9,14-17,30H2,1-4H3,(H,31,37)(H,33,36);1H/t22-,23+,26-;/m1./s1
InChIKey
UOVYBJUFEMNLOT-VIXMLYKZSA-N
Computed Properties
Structural Parameters
Heavy atom count
40
Aromatic heavy atom count
11
Fraction Csp3
0.59
Rotatable bonds
12
H-bond acceptors
7
H-bond donors
4
Molar refractivity
161.03
TPSA
137.65
LogP / Solubility
WLOGP
3.56
MLOGP
3.18
XLogP3
3.56
Consensus LogP
3.43
Log S (ESOL)
-5.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-7
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.92
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5
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