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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
2320560-35-6 / 3-[2-[3-[bis[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]amino]-3-oxopropoxy]ethoxy]propanoic acid
Basic Information
CAS
2320560-35-6
Multi CAS
No
Molecular Formula
C24H45N7O11
Molecular Weight
607.700000
Exact Mass
607.317705
SMILES
C(COCCOCCC(=O)O)C(=O)N(CCOCCOCCOCCN=[N+]=[N-])CCOCCOCCOCCN=[N+]=[N-]
InChI
InChI=1S/C24H45N7O11/c25-29-27-3-9-37-15-19-41-21-17-39-11-5-31(23(32)1-7-35-13-14-36-8-2-24(33)34)6-12-40-18-22-42-20-16-38-10-4-28-30-26/h1-22H2,(H,33,34)
InChIKey
HWCACWQZMXKCSB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
42
Fraction Csp3
0.92
Rotatable bonds
33
H-bond acceptors
12
H-bond donors
1
Molar refractivity
148.03
TPSA
228.97
LogP / Solubility
WLOGP
1.43
MLOGP
1.31
XLogP3
-0.2
Consensus LogP
0.85
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-5.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-8.76
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.41
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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