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CAS 4125-79-5 H-ARG(Z)2-OH molecular structure lightbox
CAS RN: 4125-79-5

H-ARG(Z)2-OH

  • Product code: SSC-149697
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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: 5g
  • 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 4125-79-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

4125-79-5 / (2S)-2-amino-5-[bis(phenylmethoxycarbonylamino)methylideneamino]pentanoic acid

Standard CAS: 4125-79-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4125-79-5
Multi CAS
Yes
Molecular Formula
C22H26N4O6
Molecular Weight
442.500000
Exact Mass
442.185235
InChI
InChI=1S/C22H26N4O6/c23-18(19(27)28)12-7-13-24-20(25-21(29)31-14-16-8-3-1-4-9-16)26-22(30)32-15-17-10-5-2-6-11-17/h1-6,8-11,18H,7,12-15,23H2,(H,27,28)(H2,24,25,26,29,30)/t18-/m0/s1
InChIKey
YVEVTHZNIALJHD-SFHVURJKSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
12
Fraction Csp3
0.27
Rotatable bonds
9
H-bond acceptors
7
H-bond donors
4
Molar refractivity
116.67
TPSA
152.34

LogP / Solubility

WLOGP
2.39
MLOGP
2.13
XLogP3
1.1
Consensus LogP
1.87
Log S (ESOL)
-3.77
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.91
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.6
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.72

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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