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CAS 1332837-31-6 NUC-3373 molecular structure lightbox
CAS RN: 1332837-31-6

NUC-3373

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250824 10mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1332837-31-6
  • Purity/Analytical Methods: >99.0%
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1332837-31-6 / benzyl (2S)-2-[[[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate

Standard CAS: 1332837-31-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1332837-31-6
Multi CAS
No
Molecular Formula
C29H29FN3O9P
Molecular Weight
613.500000
Exact Mass
613.162545
SMILES
C[C@@H](C(=O)OCC1=CC=CC=C1)NP(=O)(OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)F)O)OC4=CC=CC5=CC=CC=C54
InChI
InChI=1S/C29H29FN3O9P/c1-18(28(36)39-16-19-8-3-2-4-9-19)32-43(38,42-24-13-7-11-20-10-5-6-12-21(20)24)40-17-25-23(34)14-26(41-25)33-15-22(30)27(35)31-29(33)37/h2-13,15,18,23,25-26,34H,14,16-17H2,1H3,(H,32,38)(H,31,35,37)/t18-,23-,25+,26+,43?/m0/s1
InChIKey
BIOWRMNRHMERIO-ZVAHOJSLSA-N

Computed Properties

Structural Parameters

Heavy atom count
43
Aromatic heavy atom count
22
Fraction Csp3
0.28
Rotatable bonds
11
H-bond acceptors
10
H-bond donors
3
Molar refractivity
152.78
TPSA
158.18

LogP / Solubility

WLOGP
3.4
MLOGP
3.04
XLogP3
3
Consensus LogP
3.15
Log S (ESOL)
-5.44
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.05
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.79
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.05

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7.5

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