[email protected]
CAS 163018-26-6 25-Hydroxy Vitamin D3 3,3’-Aminopropyl Ether molecular structure lightbox
CAS RN: 163018-26-6

25-Hydroxy Vitamin D3 3,3’-Aminopropyl Ether

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250402 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS163018-26-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

163018-26-6 / (6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5S)-5-(3-aminopropoxy)-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-ol

Standard CAS: 163018-26-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
163018-26-6
Multi CAS
No
Molecular Formula
C30H51NO2
Molecular Weight
457.700000
Exact Mass
457.391980
SMILES
C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)OCCCN)C
InChI
InChI=1S/C30H51NO2/c1-22-11-14-26(33-20-8-19-31)21-25(22)13-12-24-10-7-18-30(5)27(15-16-28(24)30)23(2)9-6-17-29(3,4)32/h12-13,23,26-28,32H,1,6-11,14-21,31H2,2-5H3/b24-12+,25-13-/t23-,26+,27-,28+,30-/m1/s1
InChIKey
RAIPMHBURQASRR-BAUWAPLESA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Fraction Csp3
0.8
Rotatable bonds
10
H-bond acceptors
3
H-bond donors
2
Molar refractivity
140.05
TPSA
55.48

LogP / Solubility

WLOGP
7.11
MLOGP
6.29
XLogP3
6.1
Consensus LogP
6.5
Log S (ESOL)
-6.5
Class (ESOL)
Insoluble
Log S (Ali)
-8.44
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.73
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.47

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
5

Customers Also Viewed

Get In Touch

Contact Us