CAS RN: 2074688-84-7
Linagliptin Impurity 28
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.20250912 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2074688-84-7
- Purity/Analytical Methods: >99.0%
2074688-84-7 / 7-but-2-ynyl-8-(2-hydroxyethylamino)-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]purine-2,6-dione
Basic Information
CAS
2074688-84-7
Multi CAS
No
Molecular Formula
C22H23N7O3
Molecular Weight
433.500000
Exact Mass
433.186238
SMILES
CC#CCN1C2=C(N=C1NCCO)N(C(=O)N(C2=O)CC3=NC4=CC=CC=C4C(=N3)C)C
InChI
InChI=1S/C22H23N7O3/c1-4-5-11-28-18-19(26-21(28)23-10-12-30)27(3)22(32)29(20(18)31)13-17-24-14(2)15-8-6-7-9-16(15)25-17/h6-9,30H,10-13H2,1-3H3,(H,23,26)
InChIKey
YORIADKXXGJPET-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
19
Fraction Csp3
0.32
Rotatable bonds
6
H-bond acceptors
10
H-bond donors
2
Molar refractivity
121.64
TPSA
119.86
LogP / Solubility
WLOGP
0.62
MLOGP
0.58
XLogP3
1.5
Consensus LogP
0.9
Log S (ESOL)
-2.96
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.57
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.72
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
6-bromo-3-chloro-7-fluoro-2-methyl-1,5-naphthyridin-4-ol
- CAS RN: 2074703-10-7
- Product Code: SSC-097673
-
(R)-1-(5-bromo-2-fluorophenyl)ethan-1-amine hydrochloride
- CAS RN: 2074703-39-0
- Product Code: SSC-097675
-
2-((2R,3R,4R,5R,6R)-3,4,5-tris(benzyloxy)-6-((benzyloxy)methyl)tetrahydro-2H-pyran-2-yl)acetamide
- CAS RN: 2077170-13-7
- Product Code: starshine_CAS2077170-13-7
- Purity/Analytical method: >99.0%
-
(5Z,5’Z)-5,5′-((7,7′-(4,4,9,9-tetraoctyl-4,9-dihydro-s-indaceno[1,2-b:5,6-b’]dithiophene-2,7-diyl)bis(benzo[c][1,2,5]thiadiazole-7,4-diyl))bis(methanylylidene))bis(3-ethyl-2-thioxothiazolidin-4-one)
- CAS RN: 2077945-91-4
- Product Code: SSC-097770
-
(S)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-inden-1-ol(WX142570)
- CAS RN: 2077991-52-5
- Product Code: SSC-097779
-
5-(cyclopropylmethyl)-1-methyl-1H-pyrazole(WXC08872)
- CAS RN: 2079069-44-4
- Product Code: SSC-097821
![CAS 2077945-91-4 (5Z,5’Z)-5,5′-((7,7′-(4,4,9,9-tetraoctyl-4,9-dihydro-s-indaceno[1,2-b:5,6-b’]dithiophene-2,7-diyl)bis(benzo[c][1,2,5]thiadiazole-7,4-diyl))bis(methanylylidene))bis(3-ethyl-2-thioxothiazolidin-4-one) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2077945-91-4.png)
