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CAS 287384-28-5 BDP TMR carboxylic acid molecular structure lightbox
CAS RN: 287384-28-5

BDP TMR carboxylic acid

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250823 25mg In stock Shanghai Inquiry
  • Product code: SSC-130409
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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 287384-28-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry

287384-28-5 / 3-[2,2-difluoro-12-(4-methoxyphenyl)-4,6-dimethyl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-5-yl]propanoic acid

Standard CAS: 287384-28-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
287384-28-5
Multi CAS
Yes
Molecular Formula
C21H21BF2N2O3
Molecular Weight
398.200000
Exact Mass
398.161329
InChI
InChI=1S/C21H21BF2N2O3/c1-13-18(9-11-21(27)28)14(2)25-20(13)12-16-6-10-19(26(16)22(25,23)24)15-4-7-17(29-3)8-5-15/h4-8,10,12H,9,11H2,1-3H3,(H,27,28)
InChIKey
XNXZTGCQHQKUMJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
11
Fraction Csp3
0.24
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
108.28
TPSA
54.47

LogP / Solubility

WLOGP
4.41
MLOGP
3.9
XLogP3
4.41
Consensus LogP
4.24
Log S (ESOL)
-5.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.01
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.51
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)
-2.02

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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