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CAS 102185-33-1 5-Bromo-4-chloro-3-indolyl-phosphate disodium salt, >99.0% 生物技术级 molecular structure lightbox
CAS RN: 102185-33-1

5-Bromo-4-chloro-3-indolyl-phosphate disodium salt, >99.0% 生物技术级

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250808 1g In stock Inquiry
Batchno.20251001 250mg In stock Inquiry
Batchno.20250328 50mg In stock Inquiry
Batchno.20251211 5g In stock Inquiry
  • Product code: SSC-003444
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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: ≥98%
  • 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 102185-33-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Hong Kong Inquiry

102185-33-1 / disodium;(5-bromo-4-chloro-1H-indol-3-yl) phosphate

5-Bromo-4-chloro-3-indolyl phosphate disodium salt | RefChem:533661 | Sodium 5-bromo-4-chloro-1H-indol-3-yl phosphate

Standard CAS: 102185-33-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
102185-33-1
Multi CAS
Yes
Molecular Formula
C8H4BrClNNa2O4P
Molecular Weight
370.430000
Exact Mass
368.854520
SMILES
C1=CC(=C(C2=C1NC=C2OP(=O)([O-])[O-])Cl)Br.[Na+].[Na+]
InChI
InChI=1S/C8H6BrClNO4P.2Na/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
OAZUOCJOEUNDEK-UHFFFAOYSA-L
Synonyms
5-Bromo-4-chloro-3-indolyl phosphate disodium salt RefChem:533661 Sodium 5-bromo-4-chloro-1H-indol-3-yl phosphate 1H-Indol-3-ol, 5-bromo-4-chloro-, 3-(dihydrogen phosphate), sodium salt (1:2) disodium;(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
-3.68
XLogP3
-4.2
Consensus LogP
-4.03
Log S (ESOL)
0.27
Class (ESOL)
Highly soluble
Log S (Ali)
0.44
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.18
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)
-7.96

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

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