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CAS 304655-80-9 Chloramine B Hydrate molecular structure lightbox
CAS RN: 304655-80-9

Chloramine B Hydrate

Product Availability

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2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250704 25g In stock Shanghai Inquiry
Batchno.20260305 5g Out of stock 8-10 business days Inquiry
  • Product code: ICTC0075
  • Purity/Analytical Methods: >80.0%(T)
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304655-80-9 / Chloramine B Hydrate

Standard CAS: 304655-80-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
304655-80-9
Multi CAS
Yes
Molecular Formula
C6H8CLNNAO3S
Molecular Weight
232.640000
Exact Mass
231.981111
InChI
InChI=1S/C6H6ClNO2S.Na.H2O/c7-8-11(9,10)6-4-2-1-3-5-6;;/h1-5,8H;;1H2
InChIKey
RRFGOIVHQJFLKL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.98
TPSA
77.67

LogP / Solubility

WLOGP
-0.09
MLOGP
-0.07
XLogP3
-0.09
Consensus LogP
-0.08
Log S (ESOL)
-1.44
Class (ESOL)
Soluble
Log S (Ali)
-1.41
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.34
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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