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CAS 1821810-82-5 3-Azetidinepropanoic acid, 1-[(1,1-dimethylethoxy)carbonyl]-α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (αS)- molecular structure lightbox
CAS RN: 1821810-82-5

3-Azetidinepropanoic acid, 1-[(1,1-dimethylethoxy)carbonyl]-α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (αS)-

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260524 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-083190
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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: 0.1g, 0.25g, 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 1821810-82-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 0 Out of Stock Beijing Inquiry
0.25g >97% 0 Out of Stock Hong Kong Inquiry
1g >97% 0 Out of Stock Beijing Inquiry

1821810-82-5 / (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]propanoic acid

Standard CAS: 1821810-82-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1821810-82-5
Multi CAS
No
Molecular Formula
C26H30N2O6
Molecular Weight
466.500000
Exact Mass
466.210387
SMILES
CC(C)(C)OC(=O)N1CC(C1)C[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C26H30N2O6/c1-26(2,3)34-25(32)28-13-16(14-28)12-22(23(29)30)27-24(31)33-15-21-19-10-6-4-8-17(19)18-9-5-7-11-20(18)21/h4-11,16,21-22H,12-15H2,1-3H3,(H,27,31)(H,29,30)/t22-/m0/s1
InChIKey
PCSWKRBWODDRJK-QFIPXVFZSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
12
Fraction Csp3
0.42
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
2
Molar refractivity
125.54
TPSA
105.17

LogP / Solubility

WLOGP
4.24
MLOGP
3.76
XLogP3
4
Consensus LogP
4
Log S (ESOL)
-5.27
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.44
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.93
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)
-2.56

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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