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CAS 4997-36-8 10-METHYL-10H-PHENOTHIAZINE-3-CARBALDEHYDE molecular structure lightbox
CAS RN: 4997-36-8

10-METHYL-10H-PHENOTHIAZINE-3-CARBALDEHYDE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250607 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS4997-36-8
  • Purity/Analytical Methods: >99.0%
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4997-36-8 / 10-methylphenothiazine-3-carbaldehyde

Standard CAS: 4997-36-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
4997-36-8
Multi CAS
No
Molecular Formula
C14H11NOS
Molecular Weight
241.310000
Exact Mass
241.056135
InChI
InChI=1S/C14H11NOS/c1-15-11-4-2-3-5-13(11)17-14-8-10(9-16)6-7-12(14)15/h2-9H,1H3
InChIKey
DZCOHLCHTVMOJU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
70.46
TPSA
20.31

LogP / Solubility

WLOGP
3.73
MLOGP
3.29
XLogP3
3.2
Consensus LogP
3.41
Log S (ESOL)
-4.14
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.45
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.54

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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