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CAS 63525-20-2 Phosphorodichloridothioic acid S-sec-butyl ester molecular structure lightbox
CAS RN: 63525-20-2

Phosphorodichloridothioic acid S-sec-butyl ester

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260509 50mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS63525-20-2
  • Purity/Analytical Methods: >99.0%
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63525-20-2 / 2-dichlorophosphorylsulfanylbutane

Standard CAS: 63525-20-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
63525-20-2
Multi CAS
No
Molecular Formula
C4H9CL2OPS
Molecular Weight
207.060000
Exact Mass
205.948879
InChI
InChI=1S/C4H9Cl2OPS/c1-3-4(2)9-8(5,6)7/h4H,3H2,1-2H3
InChIKey
QABDNWZFVCAFCS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
46.66
TPSA
17.07

LogP / Solubility

WLOGP
4.1
MLOGP
3.61
XLogP3
2.7
Consensus LogP
3.47
Log S (ESOL)
-3.51
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.77
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.07

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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