CAS RN: 2213468-64-3
“IIIM-290(IIIM290)”
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.20251221 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2213468-64-3
- Purity/Analytical Methods: >99.0%
2213468-64-3 / 2-[(E)-2-(2,6-dichlorophenyl)ethenyl]-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]chromen-4-one
Basic Information
CAS
2213468-64-3
Multi CAS
No
Molecular Formula
C23H21Cl2NO5
Molecular Weight
462.300000
Exact Mass
461.079678
SMILES
CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)/C=C/C4=C(C=CC=C4Cl)Cl)O)O
InChI
InChI=1S/C23H21Cl2NO5/c1-26-8-7-14(20(30)11-26)21-18(28)10-19(29)22-17(27)9-12(31-23(21)22)5-6-13-15(24)3-2-4-16(13)25/h2-6,9-10,14,20,28-30H,7-8,11H2,1H3/b6-5+/t14-,20+/m0/s1
InChIKey
NFTJDXGFOUFNKG-UGBNQVSOSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
16
Fraction Csp3
0.26
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
3
Molar refractivity
122.07
TPSA
94.14
LogP / Solubility
WLOGP
4.46
MLOGP
3.96
XLogP3
4.5
Consensus LogP
4.31
Log S (ESOL)
-5.7
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.57
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.73
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
Customers Also Viewed
-
(3R,3’R)-3,3′-Bis(tert-butyl)-2,2′,3,3′-tetrahydro-4,4′-bi-1,3-benzoxaphosphole
- CAS RN: 2214207-73-3
- Product Code: SSC-106540
-
(2R,2’R,3R,3’R)-3,3′-di-tert-butyl-2,2′-dimethyl-2,2′,3,3′-tetrahydro-4,4′-bibenzo[d][1,3]oxaphosphole
- CAS RN: 2214207-74-4
- Product Code: SSC-106541
-
(2R,2’S,3R,3’R)-3,3′-di-tert-butyl-2,2′-diisopropyl-2,2′,3,3′-tetrahydro-4,4′-bibenzo[d][1,3]oxaphosphole
- CAS RN: 2214207-75-5
- Product Code: SSC-106542
-
6-Chloro-3-Iodo-1-Tetrahydropyran-2-Yl-Pyrazolo[3,4-B]Pyrazine
- CAS RN: 2215028-64-9
- Product Code: SSC-106569
-
Epimedonin L
- CAS RN: 2215102-38-6
- Product Code: starshine_CAS2215102-38-6
- Purity/Analytical method: >99.0%
-
Interferon receptor agonist
- CAS RN: 2215120-36-6
- Product Code: starshine_CAS2215120-36-6
- Purity/Analytical method: >99.0%
![CAS 2214207-74-4 (2R,2’R,3R,3’R)-3,3′-di-tert-butyl-2,2′-dimethyl-2,2′,3,3′-tetrahydro-4,4′-bibenzo[d][1,3]oxaphosphole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2214207-74-4.gif)
![CAS 2214207-75-5 (2R,2’S,3R,3’R)-3,3′-di-tert-butyl-2,2′-diisopropyl-2,2′,3,3′-tetrahydro-4,4′-bibenzo[d][1,3]oxaphosphole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2214207-75-5.gif)
![CAS 2215028-64-9 6-Chloro-3-Iodo-1-Tetrahydropyran-2-Yl-Pyrazolo[3,4-B]Pyrazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2215028-64-9.gif)
