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CAS 74805-91-7 Methylophiopogonanone B molecular structure lightbox
CAS RN: 74805-91-7

Methylophiopogonanone B

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5 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260504 5mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250513 10mg Out of stock Inquiry
Batchno.20250130 25mg Out of stock Inquiry
Batchno.20250916 50mg Out of stock Inquiry
Batchno.20250924 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS74805-91-7
  • Purity/Analytical Methods: >99.0%
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74805-91-7 / 5,7-dihydroxy-3-[(4-methoxyphenyl)methyl]-6,8-dimethyl-2,3-dihydrochromen-4-one

Standard CAS: 74805-91-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
74805-91-7
Multi CAS
Yes
Molecular Formula
C19H20O5
Molecular Weight
328.400000
Exact Mass
328.131074
InChI
InChI=1S/C19H20O5/c1-10-16(20)11(2)19-15(17(10)21)18(22)13(9-24-19)8-12-4-6-14(23-3)7-5-12/h4-7,13,20-21H,8-9H2,1-3H3/t13-/m1/s1
InChIKey
UFMAZRUMVFVHLY-CYBMUJFWSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.32
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
89.26
TPSA
75.99

LogP / Solubility

WLOGP
3.16
MLOGP
2.79
XLogP3
3.9
Consensus LogP
3.28
Log S (ESOL)
-4.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.53
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.77
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.48

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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