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CAS 482577-59-3 N-(2′-Cyanobiphenyl-4-ylmethyl)-L-valine Methyl Ester Hydrochloride molecular structure lightbox
CAS RN: 482577-59-3

N-(2′-Cyanobiphenyl-4-ylmethyl)-L-valine Methyl Ester Hydrochloride

Product Availability

Choose a grade to view its available package options.

8 package records7 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260325 100g In stock Inquiry
Batchno.20250418 1g In stock Inquiry
Batchno.20250807 25g Out of stock Inquiry
Batchno.20250306 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250618 100g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20251106 25g In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20260125 500g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260610 25g / 100g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-155152
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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: 25g
  • Available purity: ≥97%
  • 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 482577-59-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Hong Kong Inquiry

482577-59-3 / methyl (2S)-2-[[4-(2-cyanophenyl)phenyl]methylamino]-3-methylbutanoate;hydrochloride

Standard CAS: 482577-59-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
482577-59-3
Multi CAS
Yes
Molecular Formula
C20H23CLN2O2
Molecular Weight
358.900000
Exact Mass
358.144806
InChI
InChI=1S/C20H22N2O2.ClH/c1-14(2)19(20(23)24-3)22-13-15-8-10-16(11-9-15)18-7-5-4-6-17(18)12-21;/h4-11,14,19,22H,13H2,1-3H3;1H/t19-;/m0./s1
InChIKey
AZQXUWUZQLZNIM-FYZYNONXSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.3
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
1
Molar refractivity
101.32
TPSA
62.12

LogP / Solubility

WLOGP
3.93
MLOGP
3.48
XLogP3
3.93
Consensus LogP
3.78
Log S (ESOL)
-4.5
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.34
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.98
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.12

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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