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CAS 135-07-9 Methyclothiazide molecular structure lightbox
CAS RN: 135-07-9

Methyclothiazide

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4 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250702 100mg In stock Shanghai Inquiry
Batchno.20251223 250mg Out of stock Inquiry
Batchno.20250404 50mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250220 5mg / 25mg / 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS135-07-9
  • Purity/Analytical Methods: >99.0%
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135-07-9 / 6-chloro-3-(chloromethyl)-2-methyl-1,1-dioxo-3,4-dihydro-1lambda6,2,4-benzothiadiazine-7-sulfonamide

Standard CAS: 135-07-9 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
135-07-9
Multi CAS
No
Molecular Formula
C9H11Cl2N3O4S2
Molecular Weight
360.200000
Exact Mass
358.956804
SMILES
CN1C(NC2=CC(=C(C=C2S1(=O)=O)S(=O)(=O)N)Cl)CCl
InChI
InChI=1S/C9H11Cl2N3O4S2/c1-14-9(4-10)13-6-2-5(11)7(19(12,15)16)3-8(6)20(14,17)18/h2-3,9,13H,4H2,1H3,(H2,12,15,16)
InChIKey
CESYKOGBSMNBPD-UHFFFAOYSA-N

Physical Properties

Melting Point
225 °C
Physical Description
Solid
Appearance
Crystals form alcohol and water White or practically white, crystalline powder
State
Solid
Storage Conditions
Store below 40 °C (104 °F), preferably between 15 and 30 °C (59 and 86 °F), unless otherwise specified by manufacturer. Store in a well-closed container.

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
75.9
TPSA
109.57

LogP / Solubility

WLOGP
0.6
MLOGP
0.55
XLogP3
1.4
Consensus LogP
0.85
Log S (ESOL)
-2.54
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.95
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.74
Class (SILICOS-IT)
Moderately 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)
-4.49

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

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