CAS RN: 201860-17-5
BACLIGHT(TM) GREEN BACTERIAL STAIN
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250213 | 50μg | In stock | Shanghai, Guangdong | Inquiry |
- Product code: starshine_CAS201860-17-5
- Purity/Analytical Methods: >99.0%
201860-17-5 / 2-[(Z)-3-[5,6-dichloro-1,3-bis[4-(chloromethyl)phenyl]benzimidazol-2-ylidene]prop-1-enyl]-3-methyl-1,3-benzoxazol-3-ium chloride
Basic Information
CAS
201860-17-5
Multi CAS
No
Molecular Formula
C32H24Cl5N3O
Molecular Weight
643.800000
Exact Mass
643.033251
SMILES
C[N+]1=C(OC2=CC=CC=C21)/C=C\C=C3N(C4=CC(=C(C=C4N3C5=CC=C(C=C5)CCl)Cl)Cl)C6=CC=C(C=C6)CCl.[Cl-]
InChI
InChI=1S/C34H28Cl4N3O.ClH/c1-39-29-5-2-3-6-32(29)42-34(39)8-4-7-33-40(21-25-13-9-23(19-35)10-14-25)30-17-27(37)28(38)18-31(30)41(33)22-26-15-11-24(20-36)12-16-26;/h2-18H,19-22H2,1H3;1H/q+1;/p-1
InChIKey
RUVJFMSQTCEAAB-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
41
Aromatic heavy atom count
27
Fraction Csp3
0.09
Rotatable bonds
6
H-bond acceptors
3
Molar refractivity
167.24
TPSA
23.5
LogP / Solubility
WLOGP
6.89
MLOGP
6.12
XLogP3
6.89
Consensus LogP
6.63
Log S (ESOL)
-8.26
Class (ESOL)
Insoluble
Log S (Ali)
-9.81
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.28
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.76
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5
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