CAS RN: 211676-21-0
8-AMINO-DA 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.20250729 | 25mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS211676-21-0
- Purity/Analytical Methods: >99.0%
211676-21-0 / N'-[9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]-6-[(E)-dimethylaminomethylideneamino]purin-8-yl]-N,N-dimethylmethanimidamide
Basic Information
CAS
211676-21-0
Multi CAS
No
Molecular Formula
C46H59N10O6P
Molecular Weight
879.000000
Exact Mass
878.435667
SMILES
CC(C)N(C(C)C)P(OCCC#N)O[C@H]1C[C@@H](O[C@@H]1COC(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)N5C6=NC=NC(=C6N=C5/N=C/N(C)C)/N=C/N(C)C
InChI
InChI=1S/C46H59N10O6P/c1-32(2)56(33(3)4)63(60-26-14-25-47)62-39-27-41(55-44-42(52-45(55)51-31-54(7)8)43(48-29-49-44)50-30-53(5)6)61-40(39)28-59-46(34-15-12-11-13-16-34,35-17-21-37(57-9)22-18-35)36-19-23-38(58-10)24-20-36/h11-13,15-24,29-33,39-41H,14,26-28H2,1-10H3/b50-30+,51-31+/t39-,40+,41+,63?/m0/s1
InChIKey
YIJUUOKXLUUOFR-AWVTUCCOSA-N
Computed Properties
Structural Parameters
Heavy atom count
63
Aromatic heavy atom count
27
Fraction Csp3
0.43
Rotatable bonds
21
H-bond acceptors
14
Molar refractivity
245.88
TPSA
157.21
LogP / Solubility
WLOGP
8.24
MLOGP
7.34
XLogP3
6
Consensus LogP
7.19
Log S (ESOL)
-9.41
Class (ESOL)
Insoluble
Log S (Ali)
-12.72
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.74
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)
-2.23
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
7.5
