CAS RN: 2364591-80-8
5-endo-BCN-pentanoic acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250303 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: SSC-115090
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: 0.25g
- Available purity: ＞95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ＞95% | 0 Out of Stock | Hong Kong | Inquiry |
2364591-80-8 / 5-[[(1S,8R)-9-bicyclo[6.1.0]non-4-ynyl]methoxycarbonylamino]pentanoic acid
Basic Information
CAS
2364591-80-8
Multi CAS
No
Molecular Formula
C16H23NO4
Molecular Weight
293.360000
Exact Mass
293.162708
SMILES
C1C[C@@H]2[C@@H](C2COC(=O)NCCCCC(=O)O)CCC#C1
InChI
InChI=1S/C16H23NO4/c18-15(19)9-5-6-10-17-16(20)21-11-14-12-7-3-1-2-4-8-13(12)14/h12-14H,3-11H2,(H,17,20)(H,18,19)/t12-,13+,14?
InChIKey
SHBBGNJSLQPJLH-PBWFPOADSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Fraction Csp3
0.75
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
2
Molar refractivity
77.55
TPSA
75.63
LogP / Solubility
WLOGP
2.41
MLOGP
2.13
XLogP3
2.5
Consensus LogP
2.35
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.7
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.4
Class (SILICOS-IT)
Slightly 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)
-2.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3.5
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