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CAS 267230-44-4 (3R,4S)-1-Boc-4-Fmoc-amino-3-pyrrolidinecarboxylic acid molecular structure lightbox
CAS RN: 267230-44-4

(3R,4S)-1-Boc-4-Fmoc-amino-3-pyrrolidinecarboxylic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260519 100mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-124844
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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 267230-44-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

267230-44-4 / (3R,4S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid

Standard CAS: 267230-44-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
267230-44-4
Multi CAS
No
Molecular Formula
C25H28N2O6
Molecular Weight
452.500000
Exact Mass
452.194737
SMILES
CC(C)(C)OC(=O)N1C[C@H]([C@@H](C1)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
InChI
InChI=1S/C25H28N2O6/c1-25(2,3)33-24(31)27-12-19(22(28)29)21(13-27)26-23(30)32-14-20-17-10-6-4-8-15(17)16-9-5-7-11-18(16)20/h4-11,19-21H,12-14H2,1-3H3,(H,26,30)(H,28,29)/t19-,21-/m1/s1
InChIKey
MDJLYIHNKUJSBA-TZIWHRDSSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
12
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
120.93
TPSA
105.17

LogP / Solubility

WLOGP
3.85
MLOGP
3.41
XLogP3
3.9
Consensus LogP
3.72
Log S (ESOL)
-5.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.05
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.27
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)
-2.75

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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