[email protected]
CAS 1226495-37-9 “(3aR,8aR)-tetrahydro-2,2-dimethyl-4,4,8,8-tetraphenyl-N,N-bis[(1R)-1-phenylethyl]-1,3-Dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-amine” molecular structure lightbox
CAS RN: 1226495-37-9

“(3aR,8aR)-tetrahydro-2,2-dimethyl-4,4,8,8-tetraphenyl-N,N-bis[(1R)-1-phenylethyl]-1,3-Dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-amine”

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250317 100mg Out of stock Inquiry
  • Product code: starshine_CAS1226495-37-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1226495-37-9 / (3aR,8aR)-2,2-dimethyl-4,4,8,8-tetraphenyl-N,N-bis[(1R)-1-phenylethyl]-3a,8a-dihydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-amine

Standard CAS: 1226495-37-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1226495-37-9
Multi CAS
No
Molecular Formula
C47H46NO4P
Molecular Weight
719.800000
Exact Mass
719.316446
SMILES
C[C@H](C1=CC=CC=C1)N([C@H](C)C2=CC=CC=C2)P3OC([C@H]4[C@H](C(O3)(C5=CC=CC=C5)C6=CC=CC=C6)OC(O4)(C)C)(C7=CC=CC=C7)C8=CC=CC=C8
InChI
InChI=1S/C47H46NO4P/c1-35(37-23-11-5-12-24-37)48(36(2)38-25-13-6-14-26-38)53-51-46(39-27-15-7-16-28-39,40-29-17-8-18-30-40)43-44(50-45(3,4)49-43)47(52-53,41-31-19-9-20-32-41)42-33-21-10-22-34-42/h5-36,43-44H,1-4H3/t35-,36-,43-,44-/m1/s1
InChIKey
ZUKIZRMSHXSECP-DMCRKCTNSA-N

Computed Properties

Structural Parameters

Heavy atom count
53
Aromatic heavy atom count
36
Fraction Csp3
0.23
Rotatable bonds
9
H-bond acceptors
5
Molar refractivity
211.8
TPSA
40.16

LogP / Solubility

WLOGP
11.49
MLOGP
10.18
XLogP3
10.2
Consensus LogP
10.62
Log S (ESOL)
-11.45
Class (ESOL)
Insoluble
Log S (Ali)
-13.76
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.96
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.05

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us