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CAS 127373-66-4 Sivelestat molecular structure lightbox
CAS RN: 127373-66-4

Sivelestat

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7 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260510 100mg In stock Shanghai Inquiry
Batchno.20260401 10mg In stock Shanghai, Wuhan Inquiry
Batchno.20250323 1g In stock Shanghai Inquiry
Batchno.20251018 1mg In stock Shanghai Inquiry
Batchno.20250213 250mg In stock Shanghai Inquiry
Batchno.20260513 5mg In stock Shanghai, Wuhan Inquiry
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Batchno.20250824 5mg / 25mg / 100mg / 250mg / 1g / 5g Confirm by inquiry Shandong, Shanghai Inquiry
  • Product code: starshine_CAS127373-66-4
  • Purity/Analytical Methods: >99.0%
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127373-66-4 / 2-[[2-[[4-(2,2-dimethylpropanoyloxy)phenyl]sulfonylamino]benzoyl]amino]acetic acid

Standard CAS: 127373-66-4 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
127373-66-4
Multi CAS
No
Molecular Formula
C20H22N2O7S
Molecular Weight
434.500000
Exact Mass
434.114772
SMILES
CC(C)(C)C(=O)OC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)NCC(=O)O
InChI
InChI=1S/C20H22N2O7S/c1-20(2,3)19(26)29-13-8-10-14(11-9-13)30(27,28)22-16-7-5-4-6-15(16)18(25)21-12-17(23)24/h4-11,22H,12H2,1-3H3,(H,21,25)(H,23,24)
InChIKey
BTGNGJJLZOIYID-UHFFFAOYSA-N

Physical Properties

Storage Conditions
Humira must be refrigerated at 2 to 8 °C (36 to 46 °F). DO NOT FREEZE. Protect the prefilled syringe from exposure to light. Store in original carton until time of administration.

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
3
Molar refractivity
108.75
TPSA
138.87

LogP / Solubility

WLOGP
2.25
MLOGP
2.01
XLogP3
3
Consensus LogP
2.42
Log S (ESOL)
-3.79
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.75
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.19
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.77

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

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