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CAS 201802-29-1 [4-[Bis(4-methoxyphenyl)amino]phenyl]boronic Acid (contains varying amounts of Anhydride) molecular structure lightbox
CAS RN: 201802-29-1

[4-[Bis(4-methoxyphenyl)amino]phenyl]boronic Acid (contains varying amounts of Anhydride)

Product Availability

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11 package records10 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260417 100mg In stock Shanghai Inquiry
Batchno.20250130 10g In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20250707 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260521 250mg In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20251213 25g In stock Shanghai, Shenzhen Inquiry
Batchno.20250925 5g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250909 100g Out of stock 5-7 business days Inquiry
Batchno.20260406 1g In stock Shanghai, Shandong, Guangdong Inquiry
Batchno.20250115 200mg In stock Shanghai, Shandong Inquiry
Batchno.20250418 25g In stock Shandong Inquiry
Batchno.20251130 5g In stock Guangdong Inquiry
  • Product code: SSC-095107
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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: ＞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 201802-29-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞95% 0 Out of Stock Shenzhen Inquiry

201802-29-1 / [4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]boronic acid

Standard CAS: 201802-29-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
201802-29-1
Multi CAS
No
Molecular Formula
C20H20BNO4
Molecular Weight
349.200000
Exact Mass
349.148538
SMILES
B(C1=CC=C(C=C1)N(C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC)(O)O
InChI
InChI=1S/C20H20BNO4/c1-25-19-11-7-17(8-12-19)22(18-9-13-20(26-2)14-10-18)16-5-3-15(4-6-16)21(23)24/h3-14,23-24H,1-2H3
InChIKey
HDVVFJKYLNSKOG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
18
Fraction Csp3
0.1
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
2
Molar refractivity
104.05
TPSA
62.16

LogP / Solubility

WLOGP
2.85
MLOGP
2.53
XLogP3
2.85
Consensus LogP
2.74
Log S (ESOL)
-3.92
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.48
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.02
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.82

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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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