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CAS 114876-72-1 Cefprozil (Z)-Isomer (200 mg) molecular structure lightbox
CAS RN: 114876-72-1

Cefprozil (Z)-Isomer (200 mg)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260302 200mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS114876-72-1
  • Purity/Analytical Methods: >99.0%
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114876-72-1 / (6R,7R)-7-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-8-oxo-3-[(Z)-prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydrate

Cefprozil hydrate | Cefprozil, (E)- | Cefprozil (monohydrate)

Standard CAS: 114876-72-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
114876-72-1
Multi CAS
Yes
Molecular Formula
C18H21N3O6S
Molecular Weight
407.400000
Exact Mass
407.115107
SMILES
C/C=C\C1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)N)SC1)C(=O)O.O
InChI
InChI=1S/C18H19N3O5S.H2O/c1-2-3-10-8-27-17-13(16(24)21(17)14(10)18(25)26)20-15(23)12(19)9-4-6-11(22)7-5-9;/h2-7,12-13,17,22H,8,19H2,1H3,(H,20,23)(H,25,26);1H2/b3-2-;/t12-,13-,17-;/m1./s1
InChIKey
ALYUMNAHLSSTOU-HERYOFLYSA-N
Synonyms
Cefprozil hydrate Cefprozil, (E)- Cefprozil (monohydrate) UNII-3ADV90MJVU 3ADV90MJVU

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
6
Fraction Csp3
0.28
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
4
Molar refractivity
103.15
TPSA
164.46

LogP / Solubility

WLOGP
-0.12
MLOGP
-0.08
XLogP3
-0.12
Consensus LogP
-0.11
Log S (ESOL)
-2.12
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.82
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.81
Class (SILICOS-IT)
Moderately 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)
-5.29

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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