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CAS 531-55-5 Azure B, 生物技术级 molecular structure lightbox
CAS RN: 531-55-5

Azure B, 生物技术级

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250901 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong, Hebei, Guangdong, Chongqing Inquiry
  • Product code: LINA6184
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531-55-5 / dimethyl-[7-(methylamino)phenothiazin-3-ylidene]azanium chloride

Standard CAS: 531-55-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
531-55-5
Multi CAS
Yes
Molecular Formula
C15H16CLN3S
Molecular Weight
305.800000
Exact Mass
305.075346
InChI
InChI=1S/C15H15N3S.ClH/c1-16-10-4-6-12-14(8-10)19-15-9-11(18(2)3)5-7-13(15)17-12;/h4-9H,1-3H3;1H
InChIKey
DNDJEIWCTMMZBX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
14
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
82.91
TPSA
27.93

LogP / Solubility

WLOGP
-0.52
MLOGP
-0.45
XLogP3
-0.52
Consensus LogP
-0.5
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-1.69
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.34
Class (SILICOS-IT)
Soluble

ADME

GI absorption
Low
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)
-4.96

Drug-likeness / Medicinal Chemistry

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

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