CAS RN: 2377770-18-6
MeO-2PACz
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-115711
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: ≥97%
- 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 | ≥97% | 0 Out of Stock | Beijing | Inquiry |
2377770-18-6 / 2-(3,6-dimethoxycarbazol-9-yl)ethylphosphonic acid
Basic Information
CAS
2377770-18-6
Multi CAS
No
Molecular Formula
C16H18NO5P
Molecular Weight
335.290000
Exact Mass
335.092260
SMILES
COC1=CC2=C(C=C1)N(C3=C2C=C(C=C3)OC)CCP(=O)(O)O
InChI
InChI=1S/C16H18NO5P/c1-21-11-3-5-15-13(9-11)14-10-12(22-2)4-6-16(14)17(15)7-8-23(18,19)20/h3-6,9-10H,7-8H2,1-2H3,(H2,18,19,20)
InChIKey
XIOYECJFQJFYLM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
13
Fraction Csp3
0.25
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
89.46
TPSA
80.92
LogP / Solubility
WLOGP
2.99
MLOGP
2.65
XLogP3
1.4
Consensus LogP
2.35
Log S (ESOL)
-3.89
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.47
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.92
Class (SILICOS-IT)
Slightly soluble
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)
-2.64
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
2.5
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