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CAS 5875-49-0 (-)-8-[(S)-2,3-Dihydroxy-3-methylbutyl]-7-methoxy-2H-1-benzopyran-2-one molecular structure lightbox
CAS RN: 5875-49-0

(-)-8-[(S)-2,3-Dihydroxy-3-methylbutyl]-7-methoxy-2H-1-benzopyran-2-one

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251114 10mg In stock Shanghai Inquiry
Batchno.20251018 25mg Out of stock Inquiry
Batchno.20260628 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS5875-49-0
  • Purity/Analytical Methods: >99.0%
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5875-49-0 / 8-[(2R)-2,3-dihydroxy-3-methylbutyl]-7-methoxychromen-2-one

Standard CAS: 5875-49-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5875-49-0
Multi CAS
Yes
Molecular Formula
C15H18O5
Molecular Weight
278.300000
Exact Mass
278.115424
InChI
InChI=1S/C15H18O5/c1-15(2,18)12(16)8-10-11(19-3)6-4-9-5-7-13(17)20-14(9)10/h4-7,12,16,18H,8H2,1-3H3/t12-/m1/s1
InChIKey
KGGUASRIGLRPAX-GFCCVEGCSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
10
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
75.04
TPSA
79.9

LogP / Solubility

WLOGP
1.48
MLOGP
1.31
XLogP3
1.5
Consensus LogP
1.43
Log S (ESOL)
-2.6
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.91
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.17
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
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)
-3.37

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2

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