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CAS 146616-66-2 BDP FL NHS Ester (1mg×3) molecular structure lightbox
CAS RN: 146616-66-2

BDP FL NHS Ester (1mg×3)

Product Availability

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11 package records9 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251226 100mg In stock Shanghai, Shenzhen Inquiry
Batchno.20251103 10mg In stock Shanghai Inquiry
Batchno.20260202 1g In stock Shanghai Inquiry
Batchno.20250709 250mg In stock Shanghai Inquiry
Batchno.20251023 25mg In stock Shanghai Inquiry
Batchno.20250602 50mg In stock Shanghai, Chengdu Inquiry
Batchno.20250805 5mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260207 100mg Out of stock Inquiry
Batchno.20251117 1mg In stock Inquiry
Batchno.20250305 25mg Out of stock Inquiry
Batchno.20260413 5mg In stock Inquiry
  • Product code: SSC-057597
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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: ≥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 146616-66-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 0 Out of Stock Beijing Inquiry

146616-66-2 / (2,5-dioxopyrrolidin-1-yl) 3-(2,2-difluoro-10,12-dimethyl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-4-yl)propanoate

Standard CAS: 146616-66-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
146616-66-2
Multi CAS
No
Molecular Formula
C18H18BF2N3O4
Molecular Weight
389.200000
Exact Mass
389.135843
SMILES
[B-]1(N2C(=CC(=C2C=C3[N+]1=C(C=C3)CCC(=O)ON4C(=O)CCC4=O)C)C)(F)F
InChI
InChI=1S/C18H18BF2N3O4/c1-11-9-12(2)22-15(11)10-14-4-3-13(23(14)19(22,20)21)5-8-18(27)28-24-16(25)6-7-17(24)26/h3-4,9-10H,5-8H2,1-2H3
InChIKey
SDVMGNSTOAJONW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
96.07
TPSA
71.62

LogP / Solubility

WLOGP
2.09
MLOGP
1.86
XLogP3
2.09
Consensus LogP
2.01
Log S (ESOL)
-3.44
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.26
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.41
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.61

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

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]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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