CAS RN: 88107-10-2
LY 171883
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.20260306 | 10mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS88107-10-2
- Purity/Analytical Methods: >99.0%
88107-10-2 / 1-[2-hydroxy-3-propyl-4-[4-(2H-tetrazol-5-yl)butoxy]phenyl]ethanone
Basic Information
CAS
88107-10-2
Multi CAS
Yes
Molecular Formula
C16H22N4O3
Molecular Weight
318.370000
Exact Mass
318.169191
InChI
InChI=1S/C16H22N4O3/c1-3-6-13-14(9-8-12(11(2)21)16(13)22)23-10-5-4-7-15-17-19-20-18-15/h8-9,22H,3-7,10H2,1-2H3,(H,17,18,19,20)
InChIKey
MWYHLEQJTQJHSS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
11
Fraction Csp3
0.5
Rotatable bonds
9
H-bond acceptors
6
H-bond donors
2
Molar refractivity
84.72
TPSA
100.99
LogP / Solubility
WLOGP
2.46
MLOGP
2.18
XLogP3
3.7
Consensus LogP
2.78
Log S (ESOL)
-3.12
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.95
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.85
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.91
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
2.5
Customers Also Viewed
-
-
9-HEXADECYN-1-OL
- CAS RN: 88109-73-3
- Product Code: starshine_CAS88109-73-3
- Purity/Analytical method: >99.0%
-
Ganciclovir Mono-O-acetate
- CAS RN: 88110-89-8
- Product Code: starshine_CAS88110-89-8
- Purity/Analytical method: >99.0%
-
-
-
