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CAS 183871-04-7 2-(FMoc-aMino)-5-broMobenzoic Acid molecular structure lightbox
CAS RN: 183871-04-7

2-(FMoc-aMino)-5-broMobenzoic Acid

Product Availability

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250603 1g In stock Inquiry
Batchno.20260616 250mg In stock Inquiry
Batchno.20251101 5g In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250506 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-085050
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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: 5g
  • 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 183871-04-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

183871-04-7 / 5-bromo-2-(9H-fluoren-9-ylmethoxycarbonylamino)benzoic acid

Standard CAS: 183871-04-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
183871-04-7
Multi CAS
No
Molecular Formula
C22H16BrNO4
Molecular Weight
438.300000
Exact Mass
437.026270
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC4=C(C=C(C=C4)Br)C(=O)O
InChI
InChI=1S/C22H16BrNO4/c23-13-9-10-20(18(11-13)21(25)26)24-22(27)28-12-19-16-7-3-1-5-14(16)15-6-2-4-8-17(15)19/h1-11,19H,12H2,(H,24,27)(H,25,26)
InChIKey
DJPIQOAAQHUHOB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
18
Fraction Csp3
0.09
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
109.79
TPSA
75.63

LogP / Solubility

WLOGP
5.51
MLOGP
4.88
XLogP3
5.4
Consensus LogP
5.26
Log S (ESOL)
-6.24
Class (ESOL)
Insoluble
Log S (Ali)
-7.13
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.56
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.48

Drug-likeness / Medicinal Chemistry

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

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