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CAS 58578-45-3 4-oxo-2S-[[(phenymethyoxy)carbonyl]amino]-butyric acid phenymethyl ester molecular structure lightbox
CAS RN: 58578-45-3

4-oxo-2S-[[(phenymethyoxy)carbonyl]amino]-butyric acid phenymethyl ester

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260324 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-166844
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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 58578-45-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

58578-45-3 / benzyl 4-oxo-2-(phenylmethoxycarbonylamino)butanoate

Standard CAS: 58578-45-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
58578-45-3
Multi CAS
Yes
Molecular Formula
C19H19NO5
Molecular Weight
341.400000
Exact Mass
341.126323
InChI
InChI=1S/C19H19NO5/c21-12-11-17(18(22)24-13-15-7-3-1-4-8-15)20-19(23)25-14-16-9-5-2-6-10-16/h1-10,12,17H,11,13-14H2,(H,20,23)/t17-/m0/s1
InChIKey
DXBNGOWOMMHJKK-KRWDZBQOSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.21
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
1
Molar refractivity
90.47
TPSA
81.7

LogP / Solubility

WLOGP
2.61
MLOGP
2.32
XLogP3
2.3
Consensus LogP
2.41
Log S (ESOL)
-3.43
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.25
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.01
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.95

Drug-likeness / Medicinal Chemistry

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

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