CAS RN: 1380006-72-3
exo BCN-O-PNB
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250923 | 100mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20260518 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20260307 | 250mg | In stock | Shanghai, Tianjin, Wuhan | Inquiry | |
| Batchno.20251019 | 25mg | In stock | Shanghai, Shenzhen, Tianjin | Inquiry | |
| Batchno.20251207 | 50mg | In stock | Shanghai, Shenzhen, Tianjin, Chengdu | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250216 | 25mg / 50mg / 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-047961
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: 0.05g, 0.1g, 0.25g, 1g
- Available purity: >95%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
1380006-72-3 / [(1S,8R)-9-bicyclo[6.1.0]non-4-ynyl]methyl (4-nitrophenyl) carbonate
Basic Information
CAS
1380006-72-3
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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