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CAS 1627516-10-2 Sonnerphenolic B molecular structure lightbox
CAS RN: 1627516-10-2

Sonnerphenolic B

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260521 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS1627516-10-2
  • Purity/Analytical Methods: >99.0%
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1627516-10-2 / 5-[(1Z,3R)-3-(4-hydroxyphenyl)penta-1,4-dienyl]-2-methoxyphenol

Standard CAS: 1627516-10-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1627516-10-2
Multi CAS
No
Molecular Formula
C18H18O3
Molecular Weight
282.300000
Exact Mass
282.125594
SMILES
COC1=C(C=C(C=C1)/C=C\[C@@H](C=C)C2=CC=C(C=C2)O)O
InChI
InChI=1S/C18H18O3/c1-3-14(15-7-9-16(19)10-8-15)6-4-13-5-11-18(21-2)17(20)12-13/h3-12,14,19-20H,1H2,2H3/b6-4-/t14-/m1/s1
InChIKey
GQCXCYCLJQYPDM-KXQLTZBTSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.11
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
84.74
TPSA
49.69

LogP / Solubility

WLOGP
4.09
MLOGP
3.61
XLogP3
4.4
Consensus LogP
4.03
Log S (ESOL)
-4.26
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.83
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.49
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)
-1.54

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

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