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CAS 137255-86-8 (S)-METHYL N-TERT-BUTOXYCARBONYL-3-(4-BIPHENYLYL)-2-AMINOPROPIONATE molecular structure lightbox
CAS RN: 137255-86-8

(S)-METHYL N-TERT-BUTOXYCARBONYL-3-(4-BIPHENYLYL)-2-AMINOPROPIONATE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260611 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-046709
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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 137255-86-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

137255-86-8 / methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylphenyl)propanoate

Standard CAS: 137255-86-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
137255-86-8
Multi CAS
No
Molecular Formula
C21H25NO4
Molecular Weight
355.400000
Exact Mass
355.178358
SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)C2=CC=CC=C2)C(=O)OC
InChI
InChI=1S/C21H25NO4/c1-21(2,3)26-20(24)22-18(19(23)25-4)14-15-10-12-17(13-11-15)16-8-6-5-7-9-16/h5-13,18H,14H2,1-4H3,(H,22,24)/t18-/m0/s1
InChIKey
XJFJKCSCNLXBCY-SFHVURJKSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
100.76
TPSA
64.63

LogP / Solubility

WLOGP
3.96
MLOGP
3.51
XLogP3
3.9
Consensus LogP
3.79
Log S (ESOL)
-4.55
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.34
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.86
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
Yes
Log Kp (skin permeation)
-2.07

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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