[email protected]
CAS 106447-44-3 7-AMINO-3-[(Z)-PROP-1-ENYL]-3-CEPHEM-4-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 106447-44-3

7-AMINO-3-[(Z)-PROP-1-ENYL]-3-CEPHEM-4-CARBOXYLIC ACID

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251226 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS106447-44-3
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

106447-44-3 / (6R,7R)-7-amino-8-oxo-3-[(Z)-prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Cefprozil impurity F [EP] | UNII-4ZE15V22RD | 4ZE15V22RD

Standard CAS: 106447-44-3 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
106447-44-3
Multi CAS
Yes
Molecular Formula
C10H12N2O3S
Molecular Weight
240.280000
Exact Mass
240.056863
SMILES
C/C=C\C1=C(N2[C@@H]([C@@H](C2=O)N)SC1)C(=O)O
InChI
InChI=1S/C10H12N2O3S/c1-2-3-5-4-16-9-6(11)8(13)12(9)7(5)10(14)15/h2-3,6,9H,4,11H2,1H3,(H,14,15)/b3-2-/t6-,9-/m1/s1
InChIKey
ZYLDQHILNOZKIF-OXLALJFOSA-N
Synonyms
Cefprozil impurity F [EP] UNII-4ZE15V22RD 4ZE15V22RD Cefprozil monohydrate impurity F [EP] DE(2-amino-2-(4-hydroxyphenyl)acetyl)cefprozil, (E)-

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
60.54
TPSA
83.63

LogP / Solubility

WLOGP
0.14
MLOGP
0.13
XLogP3
-2.5
Consensus LogP
-0.74
Log S (ESOL)
-1.29
Class (ESOL)
Soluble
Log S (Ali)
-1.63
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.58
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
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)
-4.08

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H317: May cause an allergic skin reaction [Warning Sensitization, Skin] H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement Codes
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501

Customers Also Viewed

Get In Touch

Contact Us