[email protected]
CAS 1246298-29-2 (2,2,3,4,4-d5)-zyMosterol molecular structure lightbox
CAS RN: 1246298-29-2

(2,2,3,4,4-d5)-zyMosterol

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250929 1mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1246298-29-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1246298-29-2 / (3S,5S,10S,13R,14R,17R)-2,2,3,4,4-pentadeuterio-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-1,5,6,7,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol

Standard CAS: 1246298-29-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1246298-29-2
Multi CAS
No
Molecular Formula
C27H44O
Molecular Weight
389.700000
Exact Mass
389.370600
SMILES
[2H][C@@]1(C(C[C@]2([C@H](C1([2H])[2H])CCC3=C2CC[C@]4([C@H]3CC[C@@H]4[C@H](C)CCC=C(C)C)C)C)([2H])[2H])O
InChI
InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7,19-21,23-24,28H,6,8-17H2,1-5H3/t19-,20+,21+,23-,24+,26+,27-/m1/s1/i13D2,17D2,21D
InChIKey
CGSJXLIKVBJVRY-NTDNWCPCSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Fraction Csp3
0.85
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
119.1
TPSA
20.23

LogP / Solubility

WLOGP
7.45
MLOGP
6.58
XLogP3
7.5
Consensus LogP
7.18
Log S (ESOL)
-6.66
Class (ESOL)
Insoluble
Log S (Ali)
-8.1
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.83
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)
0.23

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6.5

Customers Also Viewed

Get In Touch

Contact Us