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CAS 172992-35-7 (S)-3-(4-(BENZYLOXY)PHENYL)-2-BUTYRAMIDOPROPANOIC ACID molecular structure lightbox
CAS RN: 172992-35-7

(S)-3-(4-(BENZYLOXY)PHENYL)-2-BUTYRAMIDOPROPANOIC ACID

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250328 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-076002
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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 172992-35-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

172992-35-7 / (2S)-2-(butanoylamino)-3-(4-phenylmethoxyphenyl)propanoic acid

Standard CAS: 172992-35-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
172992-35-7
Multi CAS
No
Molecular Formula
C20H23NO4
Molecular Weight
341.400000
Exact Mass
341.162708
SMILES
CCCC(=O)N[C@@H](CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C20H23NO4/c1-2-6-19(22)21-18(20(23)24)13-15-9-11-17(12-10-15)25-14-16-7-4-3-5-8-16/h3-5,7-12,18H,2,6,13-14H2,1H3,(H,21,22)(H,23,24)/t18-/m0/s1
InChIKey
WSVWDDCYQOYKQN-SFHVURJKSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.3
Rotatable bonds
9
H-bond acceptors
3
H-bond donors
2
Molar refractivity
95.39
TPSA
75.63

LogP / Solubility

WLOGP
3.18
MLOGP
2.81
XLogP3
3.4
Consensus LogP
3.13
Log S (ESOL)
-3.72
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.65
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.6
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)
-2.55

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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