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CAS 480999-04-0 BODIPY 581/591 carboxylic acid molecular structure lightbox
CAS RN: 480999-04-0

BODIPY 581/591 carboxylic acid

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250130 100mg In stock Shanghai Inquiry
  • Product code: SSC-155054
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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: 0.1g
  • Available purity: ＞95%
  • 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 480999-04-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ＞95% 0 Out of Stock Hong Kong Inquiry

480999-04-0 / 3-[2,2-difluoro-12-[(1E,3E)-4-phenylbuta-1,3-dienyl]-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: 480999-04-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
480999-04-0
Multi CAS
Yes
Molecular Formula
BC22F2H19N2O2
Molecular Weight
392.200000
Exact Mass
392.150764
InChI
InChI=1S/C22H19BF2N2O2/c24-23(25)26-18(9-5-4-8-17-6-2-1-3-7-17)10-12-20(26)16-21-13-11-19(27(21)23)14-15-22(28)29/h1-13,16H,14-15H2,(H,28,29)/b8-4+,9-5+
InChIKey
BNURWCMGIJOEAC-KBXRYBNXSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
11
Fraction Csp3
0.09
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
110.76
TPSA
45.24

LogP / Solubility

WLOGP
4.38
MLOGP
3.87
XLogP3
4.38
Consensus LogP
4.21
Log S (ESOL)
-4.91
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.94
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.56
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.01

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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