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CAS 948884-38-6 Acuminatanol molecular structure lightbox
CAS RN: 948884-38-6

Acuminatanol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260219 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS948884-38-6
  • Purity/Analytical Methods: >99.0%
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948884-38-6 / (2R,3R)-3,5,7-trihydroxy-2-[3,4,5-trihydroxy-2-[2,3,4-trihydroxy-6-[(2R,3R)-3,5,7-trihydroxy-4-oxo-2,3-dihydrochromen-2-yl]phenyl]phenyl]-2,3-dihydrochromen-4-one

Standard CAS: 948884-38-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
948884-38-6
Multi CAS
Yes
Molecular Formula
C30H22O16
Molecular Weight
638.500000
Exact Mass
638.090785
InChI
InChI=1S/C30H22O16/c31-7-1-11(33)19-15(3-7)45-29(27(43)25(19)41)9-5-13(35)21(37)23(39)17(9)18-10(6-14(36)22(38)24(18)40)30-28(44)26(42)20-12(34)2-8(32)4-16(20)46-30/h1-6,27-40,43-44H/t27-,28-,29+,30+/m0/s1
InChIKey
AULZIDZAMMOASF-VZNYXHRGSA-N

Computed Properties

Structural Parameters

Heavy atom count
46
Aromatic heavy atom count
24
Fraction Csp3
0.13
Rotatable bonds
3
H-bond acceptors
16
H-bond donors
12
Molar refractivity
148.82
TPSA
295.36

LogP / Solubility

WLOGP
1.76
MLOGP
1.61
XLogP3
2
Consensus LogP
1.79
Log S (ESOL)
-5.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.07
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-5.63
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.36

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7.5

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