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CAS 1314394-96-1 2-Boc-octahydrocyclopenta[c]-pyrrole-3a-carboxylic acid molecular structure lightbox
CAS RN: 1314394-96-1

2-Boc-octahydrocyclopenta[c]-pyrrole-3a-carboxylic acid

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250823 25mg / 100mg / 250mg Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: SSC-038315
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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, 5g
  • Available purity: >96%
  • 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 1314394-96-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >96% 0 Out of Stock Beijing Inquiry
0.25g >96% 0 Out of Stock Beijing Inquiry
1g >96% 0 Out of Stock Shenzhen Inquiry
5g >96% 0 Out of Stock Shanghai Inquiry

1314394-96-1 / 2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid

Standard CAS: 1314394-96-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1314394-96-1
Multi CAS
No
Molecular Formula
C13H21NO4
Molecular Weight
255.310000
Exact Mass
255.147058
SMILES
CC(C)(C)OC(=O)N1CC2CCCC2(C1)C(=O)O
InChI
InChI=1S/C13H21NO4/c1-12(2,3)18-11(17)14-7-9-5-4-6-13(9,8-14)10(15)16/h9H,4-8H2,1-3H3,(H,15,16)
InChIKey
MNUNPDQAOUQRMY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.85
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
65.22
TPSA
66.84

LogP / Solubility

WLOGP
2.11
MLOGP
1.86
XLogP3
1.5
Consensus LogP
1.82
Log S (ESOL)
-2.69
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.18
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.19
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.78

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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