CAS RN: 2341796-78-7
VH032-C4-NH2 dihydrochloride
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock2 grade groups
- Product code: SSC-113187
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: 0.05g, 0.1g, 0.25g
- 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 |
|---|---|---|---|---|
| 0.05g | -- | 1 In Stock | Hong Kong | Inquiry |
| 0.05g | >95% | 1 In Stock | Shanghai | Inquiry |
| 0.1g | -- | 1 In Stock | Hong Kong | Inquiry |
| 0.1g | >95% | 1 In Stock | Shenzhen | Inquiry |
| 0.25g | >95% | 1 In Stock | Shanghai | Inquiry |
| 0.25g | -- | 0 Out of Stock | Shenzhen | Inquiry |
2341796-78-7 / (2S,4R)-1-[(2S)-2-(5-aminopentanoylamino)-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;dihydrochloride
Basic Information
CAS
2341796-78-7
Multi CAS
No
Molecular Formula
C27H41Cl2N5O4S
Molecular Weight
602.600000
Exact Mass
601.225631
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)CCCCN)O.Cl.Cl
InChI
InChI=1S/C27H39N5O4S.2ClH/c1-17-23(37-16-30-17)19-10-8-18(9-11-19)14-29-25(35)21-13-20(33)15-32(21)26(36)24(27(2,3)4)31-22(34)7-5-6-12-28;;/h8-11,16,20-21,24,33H,5-7,12-15,28H2,1-4H3,(H,29,35)(H,31,34);2*1H/t20-,21+,24-;;/m1../s1
InChIKey
QBJGQVIKGJREIR-IYCRVZLISA-N
Computed Properties
Structural Parameters
Heavy atom count
39
Aromatic heavy atom count
11
Fraction Csp3
0.56
Rotatable bonds
10
H-bond acceptors
7
H-bond donors
4
Molar refractivity
159.05
TPSA
137.65
LogP / Solubility
WLOGP
3.2
MLOGP
2.86
XLogP3
3.2
Consensus LogP
3.09
Log S (ESOL)
-5.14
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.81
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.43
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)
-4.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5
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