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CAS 127862-89-9 (S)-2-(Z-AMINO)-4-PHENYLBUTYRIC ACID molecular structure lightbox
CAS RN: 127862-89-9

(S)-2-(Z-AMINO)-4-PHENYLBUTYRIC ACID

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250715 10g / 25g / 100g Out of stock 8-10 business days Inquiry
  • Product code: SSC-035248
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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 127862-89-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Beijing Inquiry

127862-89-9 / (2S)-4-phenyl-2-(phenylmethoxycarbonylamino)butanoic acid

Standard CAS: 127862-89-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
127862-89-9
Multi CAS
No
Molecular Formula
C18H19NO4
Molecular Weight
313.300000
Exact Mass
313.131408
SMILES
C1=CC=C(C=C1)CC[C@@H](C(=O)O)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C18H19NO4/c20-17(21)16(12-11-14-7-3-1-4-8-14)19-18(22)23-13-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,19,22)(H,20,21)/t16-/m0/s1
InChIKey
GUWSQYJXSRIJCI-INIZCTEOSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.22
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
2
Molar refractivity
85.95
TPSA
75.63

LogP / Solubility

WLOGP
3
MLOGP
2.65
XLogP3
3.4
Consensus LogP
3.02
Log S (ESOL)
-3.6
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.29
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.03
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
No
Log Kp (skin permeation)
-2.5

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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