[email protected]
CAS 182625-68-9 (S)-GNA-G(iBu) phosphoramidite molecular structure lightbox
CAS RN: 182625-68-9

(S)-GNA-G(iBu) phosphoramidite

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250125 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS182625-68-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

182625-68-9 / N-[9-[(2S)-3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxypropyl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide

Standard CAS: 182625-68-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
182625-68-9
Multi CAS
No
Molecular Formula
C42H52N7O7P
Molecular Weight
797.900000
Exact Mass
797.366584
SMILES
CC(C)C(=O)NC1=NC2=C(C(=O)N1)N=CN2C[C@@H](COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)OP(N(C(C)C)C(C)C)OCCC#N
InChI
InChI=1S/C42H52N7O7P/c1-28(2)39(50)46-41-45-38-37(40(51)47-41)44-27-48(38)25-36(56-57(55-24-12-23-43)49(29(3)4)30(5)6)26-54-42(31-13-10-9-11-14-31,32-15-19-34(52-7)20-16-32)33-17-21-35(53-8)22-18-33/h9-11,13-22,27-30,36H,12,24-26H2,1-8H3,(H2,45,46,47,50,51)/t36-,57?/m0/s1
InChIKey
GOUPKQZMFOWLOW-AUNMUFMCSA-N

Computed Properties

Structural Parameters

Heavy atom count
57
Aromatic heavy atom count
27
Fraction Csp3
0.4
Rotatable bonds
20
H-bond acceptors
12
H-bond donors
2
Molar refractivity
219.97
TPSA
165.85

LogP / Solubility

WLOGP
7.4
MLOGP
6.58
XLogP3
5.9
Consensus LogP
6.63
Log S (ESOL)
-8.48
Class (ESOL)
Insoluble
Log S (Ali)
-11.45
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.39
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.33

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
6

Customers Also Viewed

Get In Touch

Contact Us