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CAS 252897-67-9 (S)-2-((tert-Butoxycarbonyl)aMino)-3-(trityloxy)propanoic acid molecular structure lightbox
CAS RN: 252897-67-9

(S)-2-((tert-Butoxycarbonyl)aMino)-3-(trityloxy)propanoic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250401 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-121117
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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: 0.25g
  • 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 252897-67-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥97% 0 Out of Stock Shanghai Inquiry

252897-67-9 / (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-trityloxypropanoic acid

Standard CAS: 252897-67-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
252897-67-9
Multi CAS
No
Molecular Formula
C27H29NO5
Molecular Weight
447.500000
Exact Mass
447.204573
SMILES
CC(C)(C)OC(=O)N[C@@H](COC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C27H29NO5/c1-26(2,3)33-25(31)28-23(24(29)30)19-32-27(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18,23H,19H2,1-3H3,(H,28,31)(H,29,30)/t23-/m0/s1
InChIKey
PYLMUAAMLWWXJX-QHCPKHFHSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
18
Fraction Csp3
0.26
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
2
Molar refractivity
125.95
TPSA
84.86

LogP / Solubility

WLOGP
4.97
MLOGP
4.41
XLogP3
5.1
Consensus LogP
4.83
Log S (ESOL)
-5.62
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.82
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.66
Class (SILICOS-IT)
Insoluble

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
Yes
Log Kp (skin permeation)
-1.92

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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