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CAS 150173-78-7 Bodipy 576/589 molecular structure lightbox
CAS RN: 150173-78-7

Bodipy 576/589

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260626 50mg / 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-060129
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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: 0.25g
  • 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 150173-78-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Beijing Inquiry

150173-78-7 / 3-[2,2-difluoro-12-(1H-pyrrol-2-yl)-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl]propanoic acid

Standard CAS: 150173-78-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
150173-78-7
Multi CAS
No
Molecular Formula
C16H14BF2N3O2
Molecular Weight
329.100000
Exact Mass
329.114713
SMILES
[B-]1(N2C(=CC=C2CCC(=O)O)C=C3[N+]1=C(C=C3)C4=CC=CN4)(F)F
InChI
InChI=1S/C16H14BF2N3O2/c18-17(19)21-11(6-8-16(23)24)3-4-12(21)10-13-5-7-15(22(13)17)14-2-1-9-20-14/h1-5,7,9-10,20H,6,8H2,(H,23,24)
InChIKey
HEVJIRROVGECSJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
10
Fraction Csp3
0.12
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
86.04
TPSA
61.03

LogP / Solubility

WLOGP
2.48
MLOGP
2.2
XLogP3
2.48
Consensus LogP
2.39
Log S (ESOL)
-3.49
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.05
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.34
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.97

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3

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