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CAS 2341796-76-5 VH 032-linker 12 molecular structure lightbox
CAS RN: 2341796-76-5

VH 032-linker 12

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250729 25mg Out of stock 15 business days Inquiry
  • Product code: SSC-113185
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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: 0.05g, 0.1g, 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2341796-76-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g ≥95% 0 Out of Stock Hong Kong Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

2341796-76-5 / (2S,4R)-1-[(2S)-2-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;dihydrochloride

Standard CAS: 2341796-76-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2341796-76-5
Multi CAS
No
Molecular Formula
C28H43Cl2N5O6S
Molecular Weight
648.600000
Exact Mass
647.231111
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)COCCOCCN)O.Cl.Cl
InChI
InChI=1S/C28H41N5O6S.2ClH/c1-18-24(40-17-31-18)20-7-5-19(6-8-20)14-30-26(36)22-13-21(34)15-33(22)27(37)25(28(2,3)4)32-23(35)16-39-12-11-38-10-9-29;;/h5-8,17,21-22,25,34H,9-16,29H2,1-4H3,(H,30,36)(H,32,35);2*1H/t21-,22+,25-;;/m1../s1
InChIKey
JHDIGXLPWYVAKX-OTCWRJAQSA-N

Computed Properties

Structural Parameters

Heavy atom count
42
Aromatic heavy atom count
11
Fraction Csp3
0.57
Rotatable bonds
13
H-bond acceptors
9
H-bond donors
4
Molar refractivity
166.83
TPSA
156.11

LogP / Solubility

WLOGP
2.06
MLOGP
1.87
XLogP3
2.06
Consensus LogP
2
Log S (ESOL)
-4.5
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.37
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.15
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
No
Log Kp (skin permeation)
-5.21

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

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