[email protected]
CAS 1855871-76-9 V-9302 molecular structure lightbox
CAS RN: 1855871-76-9

V-9302

Product Availability

Choose a grade to view its available package options.

8 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251224 5mg / 10mg / 50mg / 250mg Confirm by inquiry Shanghai, Guangdong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251031 100mg In stock Shanghai Inquiry
Batchno.20250523 10mg In stock Shanghai Inquiry
Batchno.20250217 1mg In stock Shanghai Inquiry
Batchno.20250126 250mg In stock Shanghai Inquiry
Batchno.20260505 25mg In stock Shanghai Inquiry
Batchno.20250729 50mg In stock Shanghai Inquiry
Batchno.20251211 5mg In stock Shanghai Inquiry
  • Product code: SSC-085913
GET A QUOTE
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: 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 1855871-76-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

1855871-76-9 / (2S)-2-amino-4-[bis[[2-[(3-methylphenyl)methoxy]phenyl]methyl]amino]butanoic acid

Standard CAS: 1855871-76-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1855871-76-9
Multi CAS
No
Molecular Formula
C34H38N2O4
Molecular Weight
538.700000
Exact Mass
538.283158
SMILES
CC1=CC(=CC=C1)COC2=CC=CC=C2CN(CC[C@@H](C(=O)O)N)CC3=CC=CC=C3OCC4=CC=CC(=C4)C
InChI
InChI=1S/C34H38N2O4/c1-25-9-7-11-27(19-25)23-39-32-15-5-3-13-29(32)21-36(18-17-31(35)34(37)38)22-30-14-4-6-16-33(30)40-24-28-12-8-10-26(2)20-28/h3-16,19-20,31H,17-18,21-24,35H2,1-2H3,(H,37,38)/t31-/m0/s1
InChIKey
YGKNVAAMULVFNN-HKBQPEDESA-N

Computed Properties

Structural Parameters

Heavy atom count
40
Aromatic heavy atom count
24
Fraction Csp3
0.26
Rotatable bonds
14
H-bond acceptors
5
H-bond donors
2
Molar refractivity
158.25
TPSA
85.02

LogP / Solubility

WLOGP
6.27
MLOGP
5.55
XLogP3
3.7
Consensus LogP
5.17
Log S (ESOL)
-6.65
Class (ESOL)
Insoluble
Log S (Ali)
-8.5
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.04
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.56

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5

Customers Also Viewed

Get In Touch

Contact Us