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CAS 70110-59-7 5-Heneicosyl-1,3-dihydroxybenzene molecular structure lightbox
CAS RN: 70110-59-7

5-Heneicosyl-1,3-dihydroxybenzene

Product Availability

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3 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251202 10mg / 25mg / 100mg Confirm by inquiry Shanghai, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260510 25mg Out of stock 30 business days Inquiry
Batchno.20250605 5mg In stock Shanghai, Shandong, Hebei Inquiry
  • Product code: starshine_CAS70110-59-7
  • Purity/Analytical Methods: >99.0%
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70110-59-7 / 5-henicosylbenzene-1,3-diol

Standard CAS: 70110-59-7 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
70110-59-7
Multi CAS
No
Molecular Formula
C27H48O2
Molecular Weight
404.700000
Exact Mass
404.365431
InChI
InChI=1S/C27H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-22-26(28)24-27(29)23-25/h22-24,28-29H,2-21H2,1H3
InChIKey
BLHLKJLSYHEOGY-UHFFFAOYSA-N

Physical Properties

Melting Point
99.5 - 100.5 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
6
Fraction Csp3
0.78
Rotatable bonds
20
H-bond acceptors
2
H-bond donors
2
Molar refractivity
126.87
TPSA
40.46

LogP / Solubility

WLOGP
9.07
MLOGP
8.01
XLogP3
12.3
Consensus LogP
9.79
Log S (ESOL)
-6.9
Class (ESOL)
Insoluble
Log S (Ali)
-9.43
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.22
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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