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 | Hong Kong | Inquiry |
57277-25-5 / 2-(diethoxyphosphorylmethyl)naphthalene
Basic Information
CAS
57277-25-5
Multi CAS
No
Molecular Formula
C15H19O3P
Molecular Weight
278.280000
Exact Mass
278.107181
InChI
InChI=1S/C15H19O3P/c1-3-17-19(16,18-4-2)12-13-9-10-14-7-5-6-8-15(14)11-13/h5-11H,3-4,12H2,1-2H3
InChIKey
HKUMHFGGEGJHLP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
10
Fraction Csp3
0.33
Rotatable bonds
6
H-bond acceptors
3
Molar refractivity
78.51
TPSA
35.53
LogP / Solubility
WLOGP
4.61
MLOGP
4.06
XLogP3
3
Consensus LogP
3.89
Log S (ESOL)
-4.46
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.17
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.01
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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7-CHLORO-4-HYDROXY-3-QUINOLINECARBOXYLIC ACID
- CAS RN: 57278-46-3
- Product Code: SSC-165366
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