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CAS 182290-77-3 Cefadroxil Sulfoxide molecular structure lightbox
CAS RN: 182290-77-3

Cefadroxil Sulfoxide

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251018 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS182290-77-3
  • Purity/Analytical Methods: >99.0%
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182290-77-3 / (6R,7R)-7-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3-methyl-5,8-dioxo-5lambda4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Standard CAS: 182290-77-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
182290-77-3
Multi CAS
No
Molecular Formula
C16H17N3O6S
Molecular Weight
379.400000
Exact Mass
379.083806
SMILES
CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)N)S(=O)C1)C(=O)O
InChI
InChI=1S/C16H17N3O6S/c1-7-6-26(25)15-11(14(22)19(15)12(7)16(23)24)18-13(21)10(17)8-2-4-9(20)5-3-8/h2-5,10-11,15,20H,6,17H2,1H3,(H,18,21)(H,23,24)/t10-,11-,15-,26?/m1/s1
InChIKey
RBSBDDABBADQFV-HVOGBVHVSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
6
Fraction Csp3
0.31
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
4
Molar refractivity
90.95
TPSA
150.03

LogP / Solubility

WLOGP
-0.83
MLOGP
-0.71
XLogP3
-4
Consensus LogP
-1.85
Log S (ESOL)
-1.57
Class (ESOL)
Soluble
Log S (Ali)
-2.07
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.91
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)
-5.63

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5

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