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CAS 1070663-76-1 2-Iodo-2′,4′,6′-triisopropyl-3,6-diMethoxy-1,1′-biphenyl molecular structure lightbox
CAS RN: 1070663-76-1

2-Iodo-2′,4′,6′-triisopropyl-3,6-diMethoxy-1,1′-biphenyl

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250923 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-008506
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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: 0.25g
  • 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 1070663-76-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

1070663-76-1 / 2-iodo-1,4-dimethoxy-3-[2,4,6-tri(propan-2-yl)phenyl]benzene

2-iodo-2',4',6'-triisopropyl-3,6-dimethoxybiphenyl | RefChem:473665 | 663-757-1

Standard CAS: 1070663-76-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1070663-76-1
Multi CAS
No
Molecular Formula
C23H31IO2
Molecular Weight
466.400000
Exact Mass
466.136880
SMILES
CC(C)C1=CC(=C(C(=C1)C(C)C)C2=C(C=CC(=C2I)OC)OC)C(C)C
InChI
InChI=1S/C23H31IO2/c1-13(2)16-11-17(14(3)4)21(18(12-16)15(5)6)22-19(25-7)9-10-20(26-8)23(22)24/h9-15H,1-8H3
InChIKey
LOUYGKSUFMSHGM-UHFFFAOYSA-N
Synonyms
2-iodo-2',4',6'-triisopropyl-3,6-dimethoxybiphenyl RefChem:473665 663-757-1 2-Iodo-2',4',6'-triisopropyl-3,6-dimethoxy-1,1'-biphenyl 2-iodo-1,4-dimethoxy-3-[2,4,6-tri(propan-2-yl)phenyl]benzene

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.48
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
119.97
TPSA
18.46

LogP / Solubility

WLOGP
7.35
MLOGP
6.5
XLogP3
7.5
Consensus LogP
7.12
Log S (ESOL)
-7.3
Class (ESOL)
Insoluble
Log S (Ali)
-8.69
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.51
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-0.35

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant Environmental Hazard
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] H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501

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