CAS RN: 175223-61-7
S-VANOL hydrogenphosphate
Product Availability
Choose a grade to view its available package options.
8 package records7 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251117 | 10mg / 50mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS175223-61-7
- Purity/Analytical Methods: >99.0%
175223-61-7 / 13-hydroxy-3,23-diphenyl-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.05,10.016,21]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide
Basic Information
CAS
175223-61-7
Multi CAS
No
Molecular Formula
C32H21O4P
Molecular Weight
500.500000
Exact Mass
500.117746
SMILES
C1=CC=C(C=C1)C2=CC3=CC=CC=C3C4=C2C5=C(C6=CC=CC=C6C=C5C7=CC=CC=C7)OP(=O)(O4)O
InChI
InChI=1S/C32H21O4P/c33-37(34)35-31-25-17-9-7-15-23(25)19-27(21-11-3-1-4-12-21)29(31)30-28(22-13-5-2-6-14-22)20-24-16-8-10-18-26(24)32(30)36-37/h1-20H,(H,33,34)
InChIKey
MJERWFPNPBWGNM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
32
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
148.84
TPSA
55.76
LogP / Solubility
WLOGP
8.87
MLOGP
7.84
XLogP3
8.1
Consensus LogP
8.27
Log S (ESOL)
-9.04
Class (ESOL)
Insoluble
Log S (Ali)
-10.06
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.51
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.52
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6
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