CAS RN: 17140-68-0
etamiphyllin hydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260404 | 10mg / 25mg / 100mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS17140-68-0
- Purity/Analytical Methods: >99.0%
17140-68-0 / 7-[2-(diethylamino)ethyl]-1,3-dimethylpurine-2,6-dione;hydrochloride
Basic Information
CAS
17140-68-0
Multi CAS
No
Molecular Formula
C13H22ClN5O2
Molecular Weight
315.800000
Exact Mass
315.146203
SMILES
CCN(CC)CCN1C=NC2=C1C(=O)N(C(=O)N2C)C.Cl
InChI
InChI=1S/C13H21N5O2.ClH/c1-5-17(6-2)7-8-18-9-14-11-10(18)12(19)16(4)13(20)15(11)3;/h9H,5-8H2,1-4H3;1H
InChIKey
WZNIVRAEOQQUIB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
9
Fraction Csp3
0.62
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
1
Molar refractivity
85.25
TPSA
65.06
LogP / Solubility
WLOGP
0.2
MLOGP
0.19
XLogP3
0.2
Consensus LogP
0.2
Log S (ESOL)
-1.91
Class (ESOL)
Soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.48
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
Customers Also Viewed
-
Manganous nitrate hexahydrate
- CAS RN: 17141-63-8
- Product Code: starshine_CAS17141-63-8
- Purity/Analytical method: >99.0%
-
2-Ethyl-6-benzothiazolaMine
- CAS RN: 17142-81-3
- Product Code: starshine_CAS17142-81-3
- Purity/Analytical method: >99.0%
-
-
-
2-Benzothiazolemethanol,alpha-methyl-(7CI,8CI,9CI)
- CAS RN: 17147-80-7
- Product Code: starshine_CAS17147-80-7
- Purity/Analytical method: >99.0%
-
