[email protected]
CAS 102185-49-9 BCIP DIPOTASSIUM SALT molecular structure lightbox
CAS RN: 102185-49-9

BCIP DIPOTASSIUM SALT

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250417 100mg In stock Inquiry
Batchno.20260619 1g In stock Inquiry
Batchno.20250710 25mg In stock Inquiry
Batchno.20260620 500mg In stock Inquiry
Batchno.20250516 50mg In stock Inquiry
  • Product code: starshine_CAS102185-49-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

102185-49-9 / dipotassium;(5-bromo-4-chloro-1H-indol-3-yl) phosphate

DTXSID50625808 | dipotassium 5-bromo-4-chloro-1H-indol-3-yl phosphate | RefChem:339022

Standard CAS: 102185-49-9 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
102185-49-9
Multi CAS
Yes
Molecular Formula
C8H4BrClK2NO4P
Molecular Weight
402.650000
Exact Mass
400.802400
SMILES
C1=CC(=C(C2=C1NC=C2OP(=O)([O-])[O-])Cl)Br.[K+].[K+]
InChI
InChI=1S/C8H6BrClNO4P.2K/c9-4-1-2-5-7(8(4)10)6(3-11-5)15-16(12,13)14;;/h1-3,11H,(H2,12,13,14);;/q;2*+1/p-2
InChIKey
BYVJPKSAOAYTGG-UHFFFAOYSA-L
Synonyms
DTXSID50625808 dipotassium 5-bromo-4-chloro-1H-indol-3-yl phosphate RefChem:339022 DTXCID30576561 Potassium 5-bromo-4-chloro-1H-indol-3-yl phosphate

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
9
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
59.24
TPSA
88.21

LogP / Solubility

WLOGP
-4.2
MLOGP
-3.67
XLogP3
-4.2
Consensus LogP
-4.02
Log S (ESOL)
0.07
Class (ESOL)
Highly soluble
Log S (Ali)
0.17
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.97
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
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)
-8.16

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us