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CAS 1099687-04-3 4-BroMo-2-(4-Methyl-1-piperazinyl)benzoic Acid molecular structure lightbox
CAS RN: 1099687-04-3

4-BroMo-2-(4-Methyl-1-piperazinyl)benzoic Acid

Product Availability

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2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260208 1g Out of stock 5-7 business days Inquiry
Batchno.20250329 5g In stock Shanghai Inquiry
  • Product code: SSC-011228
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 5g, 1g, 10g, 0.25g, 25g, 0.1g
  • Available purity: >97%
  • Inventory rows with stock: 6
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1099687-04-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 5 In Stock Hong Kong Inquiry
1g >97% 4 In Stock Beijing Inquiry
10g >97% 4 In Stock Hong Kong Inquiry
0.25g >97% 2 In Stock Shanghai Inquiry
25g >97% 2 In Stock Shanghai Inquiry
0.1g >97% 1 In Stock Hong Kong Inquiry

1099687-04-3 / 4-bromo-2-(4-methylpiperazin-1-yl)benzoic acid

4-bromo-2-(4-methyl-1-piperazinyl)Benzoic acid | 4-BROMO-2-(4-METHYLPIPERAZIN-1-YL)BENZOIC ACID | MFCD11651821

Standard CAS: 1099687-04-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1099687-04-3
Multi CAS
Yes
Molecular Formula
C12H15BrN2O2
Molecular Weight
299.160000
Exact Mass
298.031690
SMILES
CN1CCN(CC1)C2=C(C=CC(=C2)Br)C(=O)O
InChI
InChI=1S/C12H15BrN2O2/c1-14-4-6-15(7-5-14)11-8-9(13)2-3-10(11)12(16)17/h2-3,8H,4-7H2,1H3,(H,16,17)
InChIKey
YVLKSWSBJTWPLY-UHFFFAOYSA-N
Synonyms
4-bromo-2-(4-methyl-1-piperazinyl)Benzoic acid 4-BROMO-2-(4-METHYLPIPERAZIN-1-YL)BENZOIC ACID MFCD11651821 DTXSID201249990 AKOS009392832

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
70.81
TPSA
43.78

LogP / Solubility

WLOGP
1.9
MLOGP
1.68
XLogP3
-0.2
Consensus LogP
1.13
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.38
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.42
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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