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CAS 19625-17-3 ANGELOL-A molecular structure lightbox
CAS RN: 19625-17-3

ANGELOL-A

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2 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250622 1mg / 5mg Out of stock 15 business days Inquiry
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Batchno.20260222 5mg Out of stock Inquiry
  • Product code: starshine_CAS19625-17-3
  • Purity/Analytical Methods: >99.0%
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19625-17-3 / [(1R,2S)-1,3-dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutan-2-yl] (Z)-2-methylbut-2-enoate

Standard CAS: 19625-17-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19625-17-3
Multi CAS
No
Molecular Formula
C20H24O7
Molecular Weight
376.400000
Exact Mass
376.152203
SMILES
C/C=C(/C)\C(=O)O[C@@H]([C@@H](C1=C(C=C2C(=C1)C=CC(=O)O2)OC)O)C(C)(C)O
InChI
InChI=1S/C20H24O7/c1-6-11(2)19(23)27-18(20(3,4)24)17(22)13-9-12-7-8-16(21)26-14(12)10-15(13)25-5/h6-10,17-18,22,24H,1-5H3/b11-6-/t17-,18+/m1/s1
InChIKey
GFMYIOGFYYHKLA-PWZGUCPHSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
10
Fraction Csp3
0.4
Rotatable bonds
6
H-bond acceptors
7
H-bond donors
2
Molar refractivity
99.6
TPSA
106.2

LogP / Solubility

WLOGP
2.48
MLOGP
2.21
XLogP3
2.1
Consensus LogP
2.26
Log S (ESOL)
-3.62
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.44
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.89
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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