[email protected]
CAS 108783-02-4 (2-CYANOETHOXY)-2-(2”-O-1,1”-DIMETHOXYTRITYLOXYETHYLSULFONYL)- ETHOXY-N,N-DIISOPROPYLAMINOPHOSPHINE) molecular structure lightbox
CAS RN: 108783-02-4

(2-CYANOETHOXY)-2-(2”-O-1,1”-DIMETHOXYTRITYLOXYETHYLSULFONYL)- ETHOXY-N,N-DIISOPROPYLAMINOPHOSPHINE)

  • Product code: SSC-010050
GET A QUOTE
Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 108783-02-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

108783-02-4 / 3-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethylsulfonyl]ethoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile

3-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethylsulfonyl]ethoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile | 3-(2-(2-(bis(4-methoxyphenyl)-phenylmethoxy)ethylsulfonyl)ethoxy-(di(propan-2-yl)amino)phosphanyl)oxypropanenitrile | RefChem:490365

Standard CAS: 108783-02-4 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
108783-02-4
Multi CAS
Yes
Molecular Formula
C34H45N2O7PS
Molecular Weight
656.800000
Exact Mass
656.268510
SMILES
CC(C)N(C(C)C)P(OCCC#N)OCCS(=O)(=O)CCOC(C1=CC=CC=C1)(C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC
InChI
InChI=1S/C34H45N2O7PS/c1-27(2)36(28(3)4)44(42-22-10-21-35)43-24-26-45(37,38)25-23-41-34(29-11-8-7-9-12-29,30-13-17-32(39-5)18-14-30)31-15-19-33(40-6)20-16-31/h7-9,11-20,27-28H,10,22-26H2,1-6H3
InChIKey
RJDYWMSSNMDIOO-UHFFFAOYSA-N
Synonyms
3-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethylsulfonyl]ethoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile 3-(2-(2-(bis(4-methoxyphenyl)-phenylmethoxy)ethylsulfonyl)ethoxy-(di(propan-2-yl)amino)phosphanyl)oxypropanenitrile RefChem:490365 853-148-0 2-O-DMT-sulfonyldiethanol phosphoramidite

Computed Properties

Structural Parameters

Heavy atom count
45
Aromatic heavy atom count
18
Fraction Csp3
0.44
Rotatable bonds
19
H-bond acceptors
9
Molar refractivity
178.08
TPSA
107.32

LogP / Solubility

WLOGP
6.72
MLOGP
5.97
XLogP3
5.4
Consensus LogP
6.03
Log S (ESOL)
-7.19
Class (ESOL)
Insoluble
Log S (Ali)
-9.8
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.79
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)
-1.96

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
4.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264+P265, P280, P305+P351+P338, and P337+P317

Customers Also Viewed

Get In Touch

Contact Us