CAS RN: 142234-18-2
6-AZATHYMIDINE CEP
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260228 | 25mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS142234-18-2
- Purity/Analytical Methods: >99.0%
142234-18-2 / 3-[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(6-methyl-3,5-dioxo-1,2,4-triazin-2-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
Basic Information
CAS
142234-18-2
Multi CAS
No
Molecular Formula
C39H48N5O8P
Molecular Weight
745.800000
Exact Mass
745.324051
SMILES
CC1=NN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)OP(N(C(C)C)C(C)C)OCCC#N
InChI
InChI=1S/C39H48N5O8P/c1-26(2)44(27(3)4)53(50-23-11-22-40)52-34-24-36(43-38(46)41-37(45)28(5)42-43)51-35(34)25-49-39(29-12-9-8-10-13-29,30-14-18-32(47-6)19-15-30)31-16-20-33(48-7)21-17-31/h8-10,12-21,26-27,34-36H,11,23-25H2,1-7H3,(H,41,45,46)/t34-,35+,36+,53?/m0/s1
InChIKey
JLJHIQBYUAHGJD-QMTPQUJBSA-N
Computed Properties
Structural Parameters
Heavy atom count
53
Aromatic heavy atom count
24
Fraction Csp3
0.44
Rotatable bonds
17
H-bond acceptors
12
H-bond donors
1
Molar refractivity
200.73
TPSA
150.16
LogP / Solubility
WLOGP
6.21
MLOGP
5.53
XLogP3
5.3
Consensus LogP
5.68
Log S (ESOL)
-7.59
Class (ESOL)
Insoluble
Log S (Ali)
-10.16
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.71
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)
-2.86
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
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