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CAS 1910-85-6 1-Chlorophenothiazine molecular structure lightbox
CAS RN: 1910-85-6

1-Chlorophenothiazine

  • Product code: SSC-089525
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1910-85-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

1910-85-6 / 1-chloro-10H-phenothiazine

Standard CAS: 1910-85-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1910-85-6
Multi CAS
No
Molecular Formula
C12H8ClNS
Molecular Weight
233.720000
Exact Mass
233.006598
SMILES
C1=CC=C2C(=C1)NC3=C(S2)C=CC=C3Cl
InChI
InChI=1S/C12H8ClNS/c13-8-4-3-7-11-12(8)14-9-5-1-2-6-10(9)15-11/h1-7,14H
InChIKey
TUZVTRCMDIUEBE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
H-bond acceptors
2
H-bond donors
1
Molar refractivity
65.3
TPSA
12.03

LogP / Solubility

WLOGP
4.55
MLOGP
4.01
XLogP3
4.2
Consensus LogP
4.25
Log S (ESOL)
-4.75
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.76
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.95
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)
-0.92

Drug-likeness / Medicinal Chemistry

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

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