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CAS 61510-09-6 Cholesteryl behenate molecular structure lightbox
CAS RN: 61510-09-6

Cholesteryl behenate

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251111 10mg In stock Chongqing Inquiry
Batchno.20250412 50mg Out of stock 5-7 business days Inquiry
Batchno.20250319 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS61510-09-6
  • Purity/Analytical Methods: >99.0%
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61510-09-6 / [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] docosanoate

Standard CAS: 61510-09-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
61510-09-6
Multi CAS
Yes
Molecular Formula
C49H88O2
Molecular Weight
709.200000
Exact Mass
708.678432
InChI
InChI=1S/C49H88O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-47(50)51-42-34-36-48(5)41(38-42)30-31-43-45-33-32-44(40(4)28-26-27-39(2)3)49(45,6)37-35-46(43)48/h30,39-40,42-46H,7-29,31-38H2,1-6H3/t40-,42+,43+,44-,45+,46+,48+,49-/m1/s1
InChIKey
WBOQXYUYHINMOC-FTAWAYKBSA-N

Computed Properties

Structural Parameters

Heavy atom count
51
Fraction Csp3
0.94
Rotatable bonds
26
H-bond acceptors
2
Molar refractivity
220.94
TPSA
26.3

LogP / Solubility

WLOGP
15.76
MLOGP
13.93
XLogP3
19.7
Consensus LogP
16.46
Log S (ESOL)
-12.45
Class (ESOL)
Insoluble
Log S (Ali)
-16.76
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-20.47
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)
4.14

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
8.5

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