CAS RN: 2341796-74-3
VH032-C10-NH2
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250303 | 100mg | Out of stock | Inquiry |
- Product code: SSC-113183
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, 1g
- Available purity: >97%
- Inventory rows with stock: 2
- 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.
2341796-74-3 / (2S,4R)-1-[(2S)-2-(11-aminoundecanoylamino)-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
Basic Information
CAS
2341796-74-3
Multi CAS
No
Molecular Formula
C33H51N5O4S
Molecular Weight
613.900000
Exact Mass
613.366176
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)CCCCCCCCCCN)O
InChI
InChI=1S/C33H51N5O4S/c1-23-29(43-22-36-23)25-16-14-24(15-17-25)20-35-31(41)27-19-26(39)21-38(27)32(42)30(33(2,3)4)37-28(40)13-11-9-7-5-6-8-10-12-18-34/h14-17,22,26-27,30,39H,5-13,18-21,34H2,1-4H3,(H,35,41)(H,37,40)/t26-,27+,30-/m1/s1
InChIKey
PZWKSXPBEBWQQH-HRHHFINDSA-N
Computed Properties
Structural Parameters
Heavy atom count
43
Aromatic heavy atom count
11
Fraction Csp3
0.64
Rotatable bonds
16
H-bond acceptors
7
H-bond donors
4
Molar refractivity
172.25
TPSA
137.65
LogP / Solubility
WLOGP
4.7
MLOGP
4.18
XLogP3
5.1
Consensus LogP
4.66
Log S (ESOL)
-5.74
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.98
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.47
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)
-3.13
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5
