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CAS 125367-34-2 BAPTA-tetramethyl Ester molecular structure lightbox
CAS RN: 125367-34-2

BAPTA-tetramethyl Ester

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250405 100g In stock Inquiry
Batchno.20250419 1g In stock Inquiry
Batchno.20250520 250mg In stock Inquiry
Batchno.20250605 25g In stock Inquiry
Batchno.20250623 5g In stock Inquiry
  • Product code: SSC-030066
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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 125367-34-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Shenzhen Inquiry

125367-34-2 / methyl 2-[2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]phenoxy]ethoxy]-N-(2-methoxy-2-oxoethyl)anilino]acetate

Standard CAS: 125367-34-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
125367-34-2
Multi CAS
No
Molecular Formula
C26H32N2O10
Molecular Weight
532.500000
Exact Mass
532.205695
SMILES
COC(=O)CN(CC(=O)OC)C1=CC=CC=C1OCCOC2=CC=CC=C2N(CC(=O)OC)CC(=O)OC
InChI
InChI=1S/C26H32N2O10/c1-33-23(29)15-27(16-24(30)34-2)19-9-5-7-11-21(19)37-13-14-38-22-12-8-6-10-20(22)28(17-25(31)35-3)18-26(32)36-4/h5-12H,13-18H2,1-4H3
InChIKey
LCPLRKMZANZSAJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
38
Aromatic heavy atom count
12
Fraction Csp3
0.38
Rotatable bonds
15
H-bond acceptors
12
Molar refractivity
136.36
TPSA
130.14

LogP / Solubility

WLOGP
1.45
MLOGP
1.32
XLogP3
3.5
Consensus LogP
2.09
Log S (ESOL)
-3.3
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.97
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.12
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.94

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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