[email protected]
CAS 808132-80-1 N2-METHYL-DG CEP molecular structure lightbox
CAS RN: 808132-80-1

N2-METHYL-DG CEP

Product Availability

Available package options are listed below.

1 package records0 with current stock
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250205 25mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS808132-80-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

808132-80-1 / 3-[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[2-(methylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile

Standard CAS: 808132-80-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
808132-80-1
Multi CAS
Yes
Molecular Formula
C41H50N7O7P
Molecular Weight
783.900000
Exact Mass
783.350934
InChI
InChI=1S/C41H50N7O7P/c1-27(2)48(28(3)4)56(53-23-11-22-42)55-34-24-36(47-26-44-37-38(47)45-40(43-5)46-39(37)49)54-35(34)25-52-41(29-12-9-8-10-13-29,30-14-18-32(50-6)19-15-30)31-16-20-33(51-7)21-17-31/h8-10,12-21,26-28,34-36H,11,23-25H2,1-7H3,(H2,43,45,46,49)/t34-,35+,36+,56?/m0/s1
InChIKey
VTJVYRYTDJTIAW-MICLYWDSSA-N

Computed Properties

Structural Parameters

Heavy atom count
56
Aromatic heavy atom count
27
Fraction Csp3
0.41
Rotatable bonds
18
H-bond acceptors
13
H-bond donors
2
Molar refractivity
214.57
TPSA
158.01

LogP / Solubility

WLOGP
7.14
MLOGP
6.35
XLogP3
5.3
Consensus LogP
6.26
Log S (ESOL)
-8.36
Class (ESOL)
Insoluble
Log S (Ali)
-11.14
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.84
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)
-2.44

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
7.5

Customers Also Viewed

Get In Touch

Contact Us