[email protected]
CAS 158401-52-6 Cyclophosphamide Related Compound B (25 mg) (3-(2-chloroethyl)-2-oxo-2-hydroxy-1,3,6,2-oxadiazaphosphonane) molecular structure lightbox
CAS RN: 158401-52-6

Cyclophosphamide Related Compound B (25 mg) (3-(2-chloroethyl)-2-oxo-2-hydroxy-1,3,6,2-oxadiazaphosphonane)

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251118 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS158401-52-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

158401-52-6 / 3-(2-chloroethyl)-2-hydroxy-1,3,6,2lambda5-oxadiazaphosphonane 2-oxide

Standard CAS: 158401-52-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
158401-52-6
Multi CAS
No
Molecular Formula
C7H16ClN2O3P
Molecular Weight
242.640000
Exact Mass
242.058707
SMILES
C1CNCCN(P(=O)(OC1)O)CCCl
InChI
InChI=1S/C7H16ClN2O3P/c8-2-5-10-6-4-9-3-1-7-13-14(10,11)12/h9H,1-7H2,(H,11,12)
InChIKey
SIMWMEHPUXRDQD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
55.56
TPSA
61.8

LogP / Solubility

WLOGP
0.64
MLOGP
0.57
XLogP3
-2.8
Consensus LogP
-0.53
Log S (ESOL)
-1.61
Class (ESOL)
Soluble
Log S (Ali)
-2.01
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.01
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.75

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
3.5

Customers Also Viewed

Get In Touch

Contact Us