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CAS 4970-37-0 (24R)-METHYLCHOLESTA-3,5-DIENE AND (24R)-ETHYLCHOLESTA-3,5-DIENE molecular structure lightbox
CAS RN: 4970-37-0

(24R)-METHYLCHOLESTA-3,5-DIENE AND (24R)-ETHYLCHOLESTA-3,5-DIENE

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2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250204 1mg In stock Inquiry
Batchno.20250129 5mg Out of stock Inquiry
  • Product code: starshine_CAS4970-37-0
  • Purity/Analytical Methods: >99.0%
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4970-37-0 / 17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene

Standard CAS: 4970-37-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4970-37-0
Multi CAS
Yes
Molecular Formula
C29H48
Molecular Weight
396.700000
Exact Mass
396.375602
InChI
InChI=1S/C29H48/c1-7-22(20(2)3)12-11-21(4)25-15-16-26-24-14-13-23-10-8-9-18-28(23,5)27(24)17-19-29(25,26)6/h8,10,13,20-22,24-27H,7,9,11-12,14-19H2,1-6H3/t21-,22-,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey
ICCTZARHLGPHMT-BPIBQTEVSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Fraction Csp3
0.86
Rotatable bonds
6
Molar refractivity
126.73
TPSA
0.0000

LogP / Solubility

WLOGP
8.83
MLOGP
7.79
XLogP3
10.6
Consensus LogP
9.07
Log S (ESOL)
-7.47
Class (ESOL)
Insoluble
Log S (Ali)
-9.19
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.29
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)
1.13

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
7

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