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CAS 648922-41-2 Taurox SB molecular structure lightbox
CAS RN: 648922-41-2

Taurox SB

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260313 1mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS648922-41-2
  • Purity/Analytical Methods: >99.0%
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648922-41-2 / 2-[3-(phenylmethoxycarbonylamino)propanoylamino]ethanesulfonic acid;zinc

Standard CAS: 648922-41-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
648922-41-2
Multi CAS
Yes
Molecular Formula
C13H18N2O6SZn
Molecular Weight
395.700000
Exact Mass
394.017699
InChI
InChI=1S/2C13H18N2O6S.Zn/c2*16-12(14-8-9-22(18,19)20)6-7-15-13(17)21-10-11-4-2-1-3-5-11;/h2*1-5H,6-10H2,(H,14,16)(H,15,17)(H,18,19,20);/q;;+2/p-2
InChIKey
BUDABWMEOIGHJW-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
3
Molar refractivity
78.67
TPSA
121.8

LogP / Solubility

WLOGP
0.3
MLOGP
0.29
XLogP3
0.3
Consensus LogP
0.3
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.02
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.45
Class (SILICOS-IT)
Poorly 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)
-4.92

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
2.5

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