CAS RN: 92118-27-9
Fotemustine
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.20250807 | 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS92118-27-9
- Purity/Analytical Methods: >99.0%
92118-27-9 / 1-(2-chloroethyl)-3-(1-diethoxyphosphorylethyl)-1-nitrosourea
Basic Information
CAS
92118-27-9
Multi CAS
Yes
Molecular Formula
C9H19CLN3O5P
Molecular Weight
315.690000
Exact Mass
315.075085
InChI
InChI=1S/C9H19ClN3O5P/c1-4-17-19(16,18-5-2)8(3)11-9(14)13(12-15)7-6-10/h8H,4-7H2,1-3H3,(H,11,14)
InChIKey
YAKWPXVTIGTRJH-UHFFFAOYSA-N
Physical Properties
Melting Point
85 °C
Appearance
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.89
Rotatable bonds
9
H-bond acceptors
6
H-bond donors
1
Molar refractivity
72.07
TPSA
97.3
LogP / Solubility
WLOGP
2.53
MLOGP
2.24
XLogP3
0.9
Consensus LogP
1.89
Log S (ESOL)
-2.8
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.98
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.89
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
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)
-2.85
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
2
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