[email protected]
CAS 75514-37-3 CHAETOCHROMIN A molecular structure lightbox
CAS RN: 75514-37-3

CHAETOCHROMIN A

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250730 1mg Out of stock Inquiry
  • Product code: starshine_CAS75514-37-3
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

75514-37-3 / 5,6,8-trihydroxy-2,3-dimethyl-9-(5,6,8-trihydroxy-2,3-dimethyl-4-oxo-2,3-dihydrobenzo[g]chromen-9-yl)-2,3-dihydrobenzo[g]chromen-4-one

Standard CAS: 75514-37-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
75514-37-3
Multi CAS
Yes
Molecular Formula
C30H26O10
Molecular Weight
546.500000
Exact Mass
546.152597
InChI
InChI=1S/C30H26O10/c1-9-11(3)39-19-5-13-21(15(31)7-17(33)23(13)29(37)25(19)27(9)35)22-14-6-20-26(28(36)10(2)12(4)40-20)30(38)24(14)18(34)8-16(22)32/h5-12,31-34,37-38H,1-4H3
InChIKey
RHNVLFNWDGWACV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
40
Aromatic heavy atom count
20
Fraction Csp3
0.27
Rotatable bonds
1
H-bond acceptors
10
H-bond donors
6
Molar refractivity
144.05
TPSA
173.98

LogP / Solubility

WLOGP
5.09
MLOGP
4.52
XLogP3
5.9
Consensus LogP
5.17
Log S (ESOL)
-6.74
Class (ESOL)
Insoluble
Log S (Ali)
-7.72
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.56
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)
-2.44

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
7.5

Customers Also Viewed

Get In Touch

Contact Us