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CAS 110904-87-5 9,10-Bis(4-methoxyphenyl)-2-chloroanthracene molecular structure lightbox
CAS RN: 110904-87-5

9,10-Bis(4-methoxyphenyl)-2-chloroanthracene

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250202 1g / 5g / 10g / 25g / 100g Confirm by inquiry Shanghai, Guangdong, Chongqing 8-10 business days Inquiry
  • Product code: SSC-011828
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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, 25g, 1g, 10g
  • Available purity: >95%
  • 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 110904-87-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g -- 5 In Stock Beijing Inquiry
5g >95% 5 In Stock Shenzhen Inquiry
25g -- 5 In Stock Beijing Inquiry
25g >95% 5 In Stock Hong Kong Inquiry
1g -- 2 In Stock Beijing Inquiry
1g >95% 2 In Stock Shanghai Inquiry
10g -- 0 Out of Stock Hong Kong Inquiry
10g >95% 0 Out of Stock Shanghai Inquiry

110904-87-5 / 2-chloro-9,10-bis(4-methoxyphenyl)anthracene

9,10-Bis(4-methoxyphenyl)-2-chloroanthracene | DTXSID70348305 | RefChem:312521

Standard CAS: 110904-87-5 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
110904-87-5
Multi CAS
Yes
Molecular Formula
C28H21ClO2
Molecular Weight
424.900000
Exact Mass
424.123008
SMILES
COC1=CC=C(C=C1)C2=C3C=CC(=CC3=C(C4=CC=CC=C42)C5=CC=C(C=C5)OC)Cl
InChI
InChI=1S/C28H21ClO2/c1-30-21-12-7-18(8-13-21)27-23-5-3-4-6-24(23)28(19-9-14-22(31-2)15-10-19)26-17-20(29)11-16-25(26)27/h3-17H,1-2H3
InChIKey
ONASMBRWDSADQY-UHFFFAOYSA-N
Synonyms
9,10-Bis(4-methoxyphenyl)-2-chloroanthracene DTXSID70348305 RefChem:312521 DTXCID60299377 634-578-6

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
26
Fraction Csp3
0.07
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
130.44
TPSA
18.46

LogP / Solubility

WLOGP
8
MLOGP
7.06
XLogP3
8.2
Consensus LogP
7.75
Log S (ESOL)
-7.87
Class (ESOL)
Insoluble
Log S (Ali)
-8.82
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.54
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)
0.37

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
3.5

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] 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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