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CAS 29706-84-1 3′-Azido-3′-deoxy-5′-O-tritylthymidine molecular structure lightbox
CAS RN: 29706-84-1

3′-Azido-3′-deoxy-5′-O-tritylthymidine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250408 5mg / 25mg Out of stock 15 business days Inquiry
  • Product code: LINA929123
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29706-84-1 / 1-[(2R,4S,5S)-4-azido-5-(trityloxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione

Standard CAS: 29706-84-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
29706-84-1
Multi CAS
Yes
Molecular Formula
C29H27N5O4
Molecular Weight
509.600000
Exact Mass
509.206304
InChI
InChI=1S/C29H27N5O4/c1-20-18-34(28(36)31-27(20)35)26-17-24(32-33-30)25(38-26)19-37-29(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,18,24-26H,17,19H2,1H3,(H,31,35,36)/t24-,25+,26+/m0/s1
InChIKey
AZPSSDWPMSICSH-JIMJEQGWSA-N

Computed Properties

Structural Parameters

Heavy atom count
38
Aromatic heavy atom count
24
Fraction Csp3
0.24
Rotatable bonds
8
H-bond acceptors
6
H-bond donors
1
Molar refractivity
142.68
TPSA
122.08

LogP / Solubility

WLOGP
4.82
MLOGP
4.28
XLogP3
5.3
Consensus LogP
4.8
Log S (ESOL)
-5.98
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.22
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.93
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
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)
-2.41

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6.5

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