CAS RN: 1075237-97-6
beta-lactamase-IN-1
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.20260511 | 1mg / 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1075237-97-6
- Purity/Analytical Methods: >99.0%
1075237-97-6 / 4-(1,3-dihydroxypropan-2-yl)-6-methoxypyrido[2,3-b]pyrazin-3-one
beta-lactamase-IN-1 | 4-(1,3-Dihydroxypropan-2-yl)-6-methoxypyrido[2,3-b]pyrazin-3(4H)-one | 4-(1,3-dihydroxypropan-2-yl)-6-methoxypyrido[2,3-b]pyrazin-3-one
Basic Information
CAS
1075237-97-6
Multi CAS
No
Molecular Formula
C11H13N3O4
Molecular Weight
251.240000
Exact Mass
251.090606
SMILES
COC1=NC2=C(C=C1)N=CC(=O)N2C(CO)CO
InChI
InChI=1S/C11H13N3O4/c1-18-9-3-2-8-11(13-9)14(7(5-15)6-16)10(17)4-12-8/h2-4,7,15-16H,5-6H2,1H3
InChIKey
VOAJCTMMHSBQGS-UHFFFAOYSA-N
Synonyms
beta-lactamase-IN-1
4-(1,3-Dihydroxypropan-2-yl)-6-methoxypyrido[2,3-b]pyrazin-3(4H)-one
4-(1,3-dihydroxypropan-2-yl)-6-methoxypyrido[2,3-b]pyrazin-3-one
MFCD28991959
4-[2-Hydroxy-1-(hydroxymethyl)ethyl]-6-methoxypyrido[2,3-b]pyrazin-3(4H)-one
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
10
Fraction Csp3
0.36
Rotatable bonds
4
H-bond acceptors
7
H-bond donors
2
Molar refractivity
63.56
TPSA
97.47
LogP / Solubility
WLOGP
-0.67
MLOGP
-0.59
XLogP3
-0.8
Consensus LogP
-0.69
Log S (ESOL)
-1.12
Class (ESOL)
Soluble
Log S (Ali)
-1.13
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.21
Class (SILICOS-IT)
Soluble
ADME
GI absorption
Low
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)
-4.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
OMadacycline (tosylate)
- CAS RN: 1075240-43-5
- Product Code: starshine_CAS1075240-43-5
- Purity/Analytical method: >99.0%
-
-
![CAS 1075259-77-6 3-Fluoro-6-Methoxy-[1,5]naphthyridin-4-ol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1075259-77-6.gif)
-
![CAS 1075260-61-5 3-chloro-5H,7H,8H-pyrano[4,3-c]pyridazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1075260-61-5.gif)
-
-
