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CAS 1467157-21-6 Durlobactam sodium salt (Synonyms: ETX2514) molecular structure lightbox
CAS RN: 1467157-21-6

Durlobactam sodium salt (Synonyms: ETX2514)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250713 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1467157-21-6
  • Purity/Analytical Methods: >99.0%
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1467157-21-6 / sodium [(2S,5R)-2-carbamoyl-3-methyl-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl] sulfate

Standard CAS: 1467157-21-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1467157-21-6
Multi CAS
No
Molecular Formula
C8H10N3NaO6S
Molecular Weight
299.240000
Exact Mass
299.018801
SMILES
CC1=C[C@@H]2CN([C@@H]1C(=O)N)C(=O)N2OS(=O)(=O)[O-].[Na+]
InChI
InChI=1S/C8H11N3O6S.Na/c1-4-2-5-3-10(6(4)7(9)12)8(13)11(5)17-18(14,15)16;/h2,5-6H,3H2,1H3,(H2,9,12)(H,14,15,16);/q;+1/p-1/t5-,6+;/m1./s1
InChIKey
WHHNOICWPZIYKI-IBTYICNHSA-M

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
1
Molar refractivity
55.25
TPSA
133.07

LogP / Solubility

WLOGP
-4.7
MLOGP
-4.12
XLogP3
-4.7
Consensus LogP
-4.51
Log S (ESOL)
1.46
Class (ESOL)
Highly soluble
Log S (Ali)
1.38
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.93
Class (SILICOS-IT)
Highly 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)
-7.88

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
5

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