[email protected]
CAS 211919-91-4 (5’S)-8,5′-Cyclodeoxyadenosine CE phosphoramidite molecular structure lightbox
CAS RN: 211919-91-4

(5’S)-8,5′-Cyclodeoxyadenosine CE phosphoramidite

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260115 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS211919-91-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

211919-91-4 / N-[(1R,11S,12R,13S)-11-[bis(4-methoxyphenyl)-phenylmethoxy]-13-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-15-oxa-2,4,6,9-tetrazatetracyclo[10.2.1.02,10.03,8]pentadeca-3,5,7,9-tetraen-7-yl]benzamide

Standard CAS: 211919-91-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
211919-91-4
Multi CAS
No
Molecular Formula
C47H50N7O7P
Molecular Weight
855.900000
Exact Mass
855.350934
SMILES
CC(C)N(C(C)C)P(OCCC#N)O[C@H]1C[C@@H]2N3C(=NC4=C(N=CN=C43)NC(=O)C5=CC=CC=C5)[C@@H]([C@H]1O2)OC(C6=CC=CC=C6)(C7=CC=C(C=C7)OC)C8=CC=C(C=C8)OC
InChI
InChI=1S/C47H50N7O7P/c1-30(2)54(31(3)4)62(58-27-13-26-48)61-38-28-39-53-44-40(43(49-29-50-44)52-46(55)32-14-9-7-10-15-32)51-45(53)42(41(38)59-39)60-47(33-16-11-8-12-17-33,34-18-22-36(56-5)23-19-34)35-20-24-37(57-6)25-21-35/h7-12,14-25,29-31,38-39,41-42H,13,27-28H2,1-6H3,(H,49,50,52,55)/t38-,39+,41-,42+,62?/m0/s1
InChIKey
BZUCVTCQMCIMSE-MHNAWMJXSA-N

Computed Properties

Structural Parameters

Heavy atom count
62
Aromatic heavy atom count
33
Fraction Csp3
0.34
Rotatable bonds
17
H-bond acceptors
13
H-bond donors
1
Molar refractivity
234.47
TPSA
155.11

LogP / Solubility

WLOGP
9.11
MLOGP
8.09
XLogP3
6.8
Consensus LogP
8
Log S (ESOL)
-10.16
Class (ESOL)
Insoluble
Log S (Ali)
-13.15
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.82
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)
-1.47

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
10

Customers Also Viewed

Get In Touch

Contact Us