[email protected]
CAS 1800290-01-0 1,1′:3′,1”:4”,1”’:3”’,1””-Quinquephenyl]-4,4””-dicarboxylic acid, 5′,5”’-bis(4-carboxyphenyl)-2”,5”-dimethoxy- molecular structure lightbox
CAS RN: 1800290-01-0

1,1′:3′,1”:4”,1”’:3”’,1””-Quinquephenyl]-4,4””-dicarboxylic acid, 5′,5”’-bis(4-carboxyphenyl)-2”,5”-dimethoxy-

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260130 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1800290-01-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1800290-01-0 / 4-[3-[4-[3,5-bis(4-carboxyphenyl)phenyl]-2,5-dimethoxyphenyl]-5-(4-carboxyphenyl)phenyl]benzoic acid

Standard CAS: 1800290-01-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1800290-01-0
Multi CAS
No
Molecular Formula
C48H34O10
Molecular Weight
770.800000
Exact Mass
770.215197
SMILES
COC1=CC(=C(C=C1C2=CC(=CC(=C2)C3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)C(=O)O)OC)C5=CC(=CC(=C5)C6=CC=C(C=C6)C(=O)O)C7=CC=C(C=C7)C(=O)O
InChI
InChI=1S/C48H34O10/c1-57-43-25-42(40-23-37(29-7-15-33(16-8-29)47(53)54)20-38(24-40)30-9-17-34(18-10-30)48(55)56)44(58-2)26-41(43)39-21-35(27-3-11-31(12-4-27)45(49)50)19-36(22-39)28-5-13-32(14-6-28)46(51)52/h3-26H,1-2H3,(H,49,50)(H,51,52)(H,53,54)(H,55,56)
InChIKey
RRSZFPUVTLBNJV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
58
Aromatic heavy atom count
42
Fraction Csp3
0.04
Rotatable bonds
12
H-bond acceptors
6
H-bond donors
4
Molar refractivity
220
TPSA
167.66

LogP / Solubility

WLOGP
10.5
MLOGP
9.31
XLogP3
9.7
Consensus LogP
9.84
Log S (ESOL)
-10.98
Class (ESOL)
Insoluble
Log S (Ali)
-13.46
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.82
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.03

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
6

Customers Also Viewed

Get In Touch

Contact Us