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CAS 742-20-1 Cyclopenthiazide molecular structure lightbox
CAS RN: 742-20-1

Cyclopenthiazide

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251115 10g In stock Tianjin Inquiry
Batchno.20250602 1g In stock Shanghai Inquiry
Batchno.20251030 250mg In stock Shanghai Inquiry
Batchno.20250710 25g Out of stock Inquiry
Batchno.20260625 5g In stock Shanghai, Tianjin Inquiry
  • Product code: starshine_CAS742-20-1
  • Purity/Analytical Methods: >99.0%
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742-20-1 / 6-chloro-3-(cyclopentylmethyl)-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide

Standard CAS: 742-20-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
742-20-1
Multi CAS
Yes
Molecular Formula
C13H18CLN3O4S2
Molecular Weight
379.900000
Exact Mass
379.042726
InChI
InChI=1S/C13H18ClN3O4S2/c14-9-6-10-12(7-11(9)22(15,18)19)23(20,21)17-13(16-10)5-8-3-1-2-4-8/h6-8,13,16-17H,1-5H2,(H2,15,18,19)
InChIKey
BKYKPTRYDKTTJY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
3
Molar refractivity
87.13
TPSA
118.36

LogP / Solubility

WLOGP
1.6
MLOGP
1.43
XLogP3
1.3
Consensus LogP
1.44
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.83
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.82
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.9

Drug-likeness / Medicinal Chemistry

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

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