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CAS 1038924-71-8 (2R,4S)-5-([1,1′-biphenyl]-4-yl)-4-aMino-2-Methylpentanoic acid hydrochloride molecular structure lightbox
CAS RN: 1038924-71-8

(2R,4S)-5-([1,1′-biphenyl]-4-yl)-4-aMino-2-Methylpentanoic acid hydrochloride

  • Product code: SSC-005560
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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: ≥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 1038924-71-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1038924-71-8 / (2R,4S)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoic acid;hydrochloride

Sacubitril impurity 11 | 5HJ77XM3LQ | RefChem:1098289

Standard CAS: 1038924-71-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1038924-71-8
Multi CAS
Yes
Molecular Formula
C18H22ClNO2
Molecular Weight
319.800000
Exact Mass
319.133907
SMILES
C[C@H](C[C@@H](CC1=CC=C(C=C1)C2=CC=CC=C2)N)C(=O)O.Cl
InChI
InChI=1S/C18H21NO2.ClH/c1-13(18(20)21)11-17(19)12-14-7-9-16(10-8-14)15-5-3-2-4-6-15;/h2-10,13,17H,11-12,19H2,1H3,(H,20,21);1H/t13-,17+;/m1./s1
InChIKey
YDSBMWIJMJQNKE-YNDBEVAQSA-N
Synonyms
Sacubitril impurity 11 5HJ77XM3LQ RefChem:1098289 (2R,4S)-4-amino-5-biphenyl-4-yl-2-methylpentanoic acid hydrochloride (2R,4S)-5-([1,1'-biphenyl]-4-yl)-4-aMino-2-Methylpentanoic acid hydrochloride

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.28
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
2
Molar refractivity
92.22
TPSA
63.32

LogP / Solubility

WLOGP
3.76
MLOGP
3.32
XLogP3
3.76
Consensus LogP
3.61
Log S (ESOL)
-4.2
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.89
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.58
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
No
Log Kp (skin permeation)
-2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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