![CAS 79368-95-9 (6R,7R)-7-[[(2Z)-2-(2-AMino-4-thiazolyl)-2-[(2-ethoxy-2-oxoethoxy)iMino]acetyl]aMino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/79368-95-9.gif)
CAS RN: 79368-95-9
(6R,7R)-7-[[(2Z)-2-(2-AMino-4-thiazolyl)-2-[(2-ethoxy-2-oxoethoxy)iMino]acetyl]aMino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic 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.20250311 | 25mg / 50mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS79368-95-9
- Purity/Analytical Methods: >99.0%
79368-95-9 / 7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-ethoxy-2-oxoethoxy)iminoacetyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Basic Information
CAS
79368-95-9
Multi CAS
Yes
Molecular Formula
C18H19N5O7S2
Molecular Weight
481.500000
Exact Mass
481.072590
InChI
InChI=1S/C18H19N5O7S2/c1-3-8-6-31-16-12(15(26)23(16)13(8)17(27)28)21-14(25)11(9-7-32-18(19)20-9)22-30-5-10(24)29-4-2/h3,7,12,16H,1,4-6H2,2H3,(H2,19,20)(H,21,25)(H,27,28)/b22-11-/t12-,16-/m1/s1
InChIKey
QVMFLNUARRRNPY-WGHMCSAXSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
9
H-bond acceptors
11
H-bond donors
3
Molar refractivity
115.53
TPSA
173.51
LogP / Solubility
WLOGP
-0.07
MLOGP
-0.02
Consensus LogP
-0.03
Log S (ESOL)
-2.31
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.46
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.81
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
Low
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)
-5.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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