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CAS 1263166-91-1 endo BCN-O-PNB molecular structure lightbox
CAS RN: 1263166-91-1

endo BCN-O-PNB

Product Availability

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9 package records9 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260514 100mg In stock Shanghai, Wuhan Inquiry
Batchno.20250826 10g In stock Shanghai Inquiry
Batchno.20250724 1g In stock Shanghai Inquiry
Batchno.20251206 250mg In stock Shanghai Inquiry
Batchno.20260502 25g In stock Shanghai Inquiry
Batchno.20260425 25mg In stock Shanghai Inquiry
Batchno.20260616 25mg / 100mg / 250mg Confirm by inquiry Shanghai Inquiry
Batchno.20251210 50mg In stock Shanghai Inquiry
Batchno.20251109 5g In stock Shanghai Inquiry
  • Product code: SSC-033346
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g, 10g
  • Available purity: >98%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1263166-91-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >98% 1 In Stock Shanghai Inquiry
0.25g >98% 1 In Stock Beijing Inquiry
1g >98% 1 In Stock Shanghai Inquiry
5g >98% 0 Out of Stock Shenzhen Inquiry
10g >98% 0 Out of Stock Beijing Inquiry

1263166-91-1 / [(1S,8R)-9-bicyclo[6.1.0]non-4-ynyl]methyl (4-nitrophenyl) carbonate

Standard CAS: 1263166-91-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1263166-91-1
Multi CAS
No
Molecular Formula
C17H17NO5
Molecular Weight
315.320000
Exact Mass
315.110673
SMILES
C1C[C@@H]2[C@@H](C2COC(=O)OC3=CC=C(C=C3)[N+](=O)[O-])CCC#C1
InChI
InChI=1S/C17H17NO5/c19-17(23-13-9-7-12(8-10-13)18(20)21)22-11-16-14-5-3-1-2-4-6-15(14)16/h7-10,14-16H,3-6,11H2/t14-,15+,16?
InChIKey
QXNXOXMDBLHIDB-XYPWUTKMSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
81.79
TPSA
78.67

LogP / Solubility

WLOGP
3.55
MLOGP
3.14
XLogP3
4.3
Consensus LogP
3.66
Log S (ESOL)
-3.96
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.71
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.14
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.12

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
3.5

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