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CAS 1947-42-8 N-α,N-ω-,N-ω′-Tri-Z-D-arginine molecular structure lightbox
CAS RN: 1947-42-8

N-α,N-ω-,N-ω′-Tri-Z-D-arginine

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250618 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-091837
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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: 1g
  • 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 1947-42-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

1947-42-8 / (2R)-5-[bis(phenylmethoxycarbonylamino)methylideneamino]-2-(phenylmethoxycarbonylamino)pentanoic acid

Standard CAS: 1947-42-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1947-42-8
Multi CAS
No
Molecular Formula
C30H32N4O8
Molecular Weight
576.600000
Exact Mass
576.222014
SMILES
C1=CC=C(C=C1)COC(=O)N[C@H](CCCN=C(NC(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C30H32N4O8/c35-26(36)25(32-28(37)40-19-22-11-4-1-5-12-22)17-10-18-31-27(33-29(38)41-20-23-13-6-2-7-14-23)34-30(39)42-21-24-15-8-3-9-16-24/h1-9,11-16,25H,10,17-21H2,(H,32,37)(H,35,36)(H2,31,33,34,38,39)/t25-/m1/s1
InChIKey
HZQIQHGUQPYWSW-RUZDIDTESA-N

Computed Properties

Structural Parameters

Heavy atom count
42
Aromatic heavy atom count
18
Fraction Csp3
0.23
Rotatable bonds
12
H-bond acceptors
8
H-bond donors
4
Molar refractivity
152.25
TPSA
164.65

LogP / Solubility

WLOGP
4.36
MLOGP
3.88
XLogP3
5.5
Consensus LogP
4.58
Log S (ESOL)
-5.68
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.43
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.46
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)
-3.15

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
4.5

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