CAS RN: 27046-19-1
4-ketocyclophosphamide
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.20251106 | 2.5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS27046-19-1
- Purity/Analytical Methods: >99.0%
27046-19-1 / 2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2lambda5-oxazaphosphinan-4-one
Basic Information
CAS
27046-19-1
Multi CAS
No
Molecular Formula
C7H13Cl2N2O3P
Molecular Weight
275.070000
Exact Mass
274.004085
SMILES
C1COP(=O)(NC1=O)N(CCCl)CCCl
InChI
InChI=1S/C7H13Cl2N2O3P/c8-2-4-11(5-3-9)15(13)10-7(12)1-6-14-15/h1-6H2,(H,10,12,13)
InChIKey
VBMZHOCORXMDJU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.86
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
59.33
TPSA
58.64
LogP / Solubility
WLOGP
1.41
MLOGP
1.25
XLogP3
0.1
Consensus LogP
0.92
Log S (ESOL)
-2.1
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.83
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.22
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2
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