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CAS 146844-02-2 (R)-Dibenzyl 2-aminopentanedioate hydrochloride molecular structure lightbox
CAS RN: 146844-02-2

(R)-Dibenzyl 2-aminopentanedioate hydrochloride

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250504 1g / 5g / 10g / 25g / 100g Confirm by inquiry Shanghai, Shandong 5-7 business days Inquiry
  • Product code: SSC-057746
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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 146844-02-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g >97% 0 Out of Stock Hong Kong Inquiry

146844-02-2 / dibenzyl (2R)-2-aminopentanedioate;hydrochloride

Standard CAS: 146844-02-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
146844-02-2
Multi CAS
No
Molecular Formula
C19H22ClNO4
Molecular Weight
363.800000
Exact Mass
363.123736
SMILES
C1=CC=C(C=C1)COC(=O)CC[C@H](C(=O)OCC2=CC=CC=C2)N.Cl
InChI
InChI=1S/C19H21NO4.ClH/c20-17(19(22)24-14-16-9-5-2-6-10-16)11-12-18(21)23-13-15-7-3-1-4-8-15;/h1-10,17H,11-14,20H2;1H/t17-;/m1./s1
InChIKey
GRGJVECUQLAEDM-UNTBIKODSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.26
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
1
Molar refractivity
96.93
TPSA
78.62

LogP / Solubility

WLOGP
3
MLOGP
2.66
XLogP3
3
Consensus LogP
2.89
Log S (ESOL)
-3.81
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.71
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.48
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.81

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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