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CAS 76541-72-5 SR 202 molecular structure lightbox
CAS RN: 76541-72-5

SR 202

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6 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250908 100mg In stock Shanghai Inquiry
Batchno.20250713 1g Out of stock Inquiry
Batchno.20250610 1mg In stock Shanghai Inquiry
Batchno.20260316 250mg In stock Shanghai Inquiry
Batchno.20260223 50mg In stock Shanghai Inquiry
Batchno.20251215 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS76541-72-5
  • Purity/Analytical Methods: >99.0%
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76541-72-5 / [(4-chlorophenyl)-dimethoxyphosphorylmethyl] dimethyl phosphate

Standard CAS: 76541-72-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
76541-72-5
Multi CAS
Yes
Molecular Formula
C11H17CLO7P2
Molecular Weight
358.650000
Exact Mass
358.013805
InChI
InChI=1S/C11H17ClO7P2/c1-15-20(13,16-2)11(19-21(14,17-3)18-4)9-5-7-10(12)8-6-9/h5-8,11H,1-4H3
InChIKey
VQHUQHAPWMNBLP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
8
H-bond acceptors
7
Molar refractivity
78.53
TPSA
80.29

LogP / Solubility

WLOGP
4.24
MLOGP
3.75
XLogP3
1
Consensus LogP
3
Log S (ESOL)
-4.42
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.56
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.47
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.9

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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