CAS RN: 65307-12-2
Cefetrizole
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.20260427 | 1mg / 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS65307-12-2
- Purity/Analytical Methods: >99.0%
65307-12-2 / (6R,7R)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Basic Information
CAS
65307-12-2
Multi CAS
Yes
Molecular Formula
C16H15N5O4S3
Molecular Weight
437.500000
Exact Mass
437.028618
InChI
InChI=1S/C16H15N5O4S3/c22-10(4-9-2-1-3-26-9)19-11-13(23)21-12(15(24)25)8(5-27-14(11)21)6-28-16-17-7-18-20-16/h1-3,7,11,14H,4-6H2,(H,19,22)(H,24,25)(H,17,18,20)/t11-,14-/m1/s1
InChIKey
UQWYUAURRDNBKR-BXUZGUMPSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
10
Fraction Csp3
0.31
Rotatable bonds
7
H-bond acceptors
8
H-bond donors
3
Molar refractivity
104.81
TPSA
128.28
LogP / Solubility
WLOGP
0.94
MLOGP
0.86
XLogP3
1
Consensus LogP
0.93
Log S (ESOL)
-2.95
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.83
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.12
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.72
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
