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CAS 132682-98-5 Glufosfamide molecular structure lightbox
CAS RN: 132682-98-5

Glufosfamide

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5 package records4 with current stock1 grade group
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Batchno.20250521 100mg In stock Inquiry
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  • Product code: starshine_CAS132682-98-5
  • Purity/Analytical Methods: >99.0%
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132682-98-5 / (2S,3R,4S,5S,6R)-2-bis(2-chloroethylamino)phosphoryloxy-6-(hydroxymethyl)oxane-3,4,5-triol

Standard CAS: 132682-98-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
132682-98-5
Multi CAS
No
Molecular Formula
C10H21Cl2N2O7P
Molecular Weight
383.160000
Exact Mass
382.046343
SMILES
C(CCl)NP(=O)(NCCCl)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI
InChI=1S/C10H21Cl2N2O7P/c11-1-3-13-22(19,14-4-2-12)21-10-9(18)8(17)7(16)6(5-15)20-10/h6-10,15-18H,1-5H2,(H2,13,14,19)/t6-,7-,8+,9-,10+/m1/s1
InChIKey
PSVUJBVBCOISSP-SPFKKGSWSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Fraction Csp3
1
Rotatable bonds
9
H-bond acceptors
7
H-bond donors
6
Molar refractivity
79.9
TPSA
140.51

LogP / Solubility

WLOGP
-1.43
MLOGP
-1.24
XLogP3
-2
Consensus LogP
-1.56
Log S (ESOL)
-0.72
Class (ESOL)
Very soluble
Log S (Ali)
-1.67
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.04
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.07

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

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