[email protected]
CAS 73263-62-4 1-Cyclohexene-1-carboxylic acid, 5-((3-(3,4-dihydroxyphenyl)-1-oxo-2-p ropenyl)oxy)-3,4-dihydroxy-, (3R-(3alpha,4alpha,5beta))- molecular structure lightbox
CAS RN: 73263-62-4

1-Cyclohexene-1-carboxylic acid, 5-((3-(3,4-dihydroxyphenyl)-1-oxo-2-p ropenyl)oxy)-3,4-dihydroxy-, (3R-(3alpha,4alpha,5beta))-

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260301 10mg In stock Shanghai Inquiry
Batchno.20260220 1mg In stock Shanghai Inquiry
Batchno.20250308 25mg Out of stock Inquiry
Batchno.20251103 5mg In stock Shanghai Inquiry
Batchno.20250922 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS73263-62-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

73263-62-4 / (3R,4R,5R)-5-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-3,4-dihydroxycyclohexene-1-carboxylic acid

Standard CAS: 73263-62-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
73263-62-4
Multi CAS
Yes
Molecular Formula
C16H16O8
Molecular Weight
336.290000
Exact Mass
336.084517
InChI
InChI=1S/C16H16O8/c17-10-3-1-8(5-11(10)18)2-4-14(20)24-13-7-9(16(22)23)6-12(19)15(13)21/h1-6,12-13,15,17-19,21H,7H2,(H,22,23)/t12-,13-,15-/m1/s1
InChIKey
QMPHZIPNNJOWQI-UMVBOHGHSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
4
H-bond acceptors
7
H-bond donors
5
Molar refractivity
81.04
TPSA
144.52

LogP / Solubility

WLOGP
0.16
MLOGP
0.16
XLogP3
0.2
Consensus LogP
0.17
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-2.43
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.46
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.66

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
4

Customers Also Viewed

Get In Touch

Contact Us