![CAS 5626-38-0 [5-(2-chlorophenyl)-2H-tetrazol-2-yl]acetic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/5626-38-0.gif)
CAS RN: 5626-38-0
[5-(2-chlorophenyl)-2H-tetrazol-2-yl]acetic acid
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.20250705 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS5626-38-0
- Purity/Analytical Methods: >99.0%
5626-38-0 / 2-[5-(2-chlorophenyl)tetrazol-2-yl]acetic acid
Basic Information
CAS
5626-38-0
Multi CAS
Yes
Molecular Formula
C9H7CLN4O2
Molecular Weight
238.630000
Exact Mass
238.025753
InChI
InChI=1S/C9H7ClN4O2/c10-7-4-2-1-3-6(7)9-11-13-14(12-9)5-8(15)16/h1-4H,5H2,(H,15,16)
InChIKey
XTEQROKRTGIKDV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
11
Fraction Csp3
0.11
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
55.9
TPSA
80.9
LogP / Solubility
WLOGP
1.08
MLOGP
0.95
XLogP3
2.1
Consensus LogP
1.38
Log S (ESOL)
-2.31
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.47
Class (SILICOS-IT)
Moderately 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)
-3.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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