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CAS 447454-49-1 Ruixianglangdusu B molecular structure lightbox
CAS RN: 447454-49-1

Ruixianglangdusu B

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251026 1mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS447454-49-1
  • Purity/Analytical Methods: >99.0%
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447454-49-1 / (2S,3R)-5,7-dihydroxy-3-[(2S,3R)-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one

Standard CAS: 447454-49-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
447454-49-1
Multi CAS
Yes
Molecular Formula
C33H28O10
Molecular Weight
584.600000
Exact Mass
584.168247
InChI
InChI=1S/C33H28O10/c1-39-19-8-4-16(5-9-19)32-28(30(37)26-22(35)12-18(34)13-24(26)42-32)29-31(38)27-23(36)14-21(41-3)15-25(27)43-33(29)17-6-10-20(40-2)11-7-17/h4-15,28-29,32-36H,1-3H3/t28-,29-,32+,33+/m0/s1
InChIKey
RCENZFSDCKZBLJ-RYNFHTSCSA-N

Computed Properties

Structural Parameters

Heavy atom count
43
Aromatic heavy atom count
24
Fraction Csp3
0.21
Rotatable bonds
6
H-bond acceptors
10
H-bond donors
3
Molar refractivity
152.8
TPSA
140.98

LogP / Solubility

WLOGP
5.39
MLOGP
4.79
XLogP3
5.6
Consensus LogP
5.26
Log S (ESOL)
-6.88
Class (ESOL)
Insoluble
Log S (Ali)
-8.25
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.66
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)
-2.46

Drug-likeness / Medicinal Chemistry

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

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