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CAS 56796-20-4 Cefmetazole molecular structure lightbox
CAS RN: 56796-20-4

Cefmetazole

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250302 5mg / 25mg / 100mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS56796-20-4
  • Purity/Analytical Methods: >99.0%
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56796-20-4 / 7-[[2-(cyanomethylsulfanyl)acetyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Standard CAS: 56796-20-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
56796-20-4
Multi CAS
Yes
Molecular Formula
C15H17N7O5S3
Molecular Weight
471.500000
Exact Mass
471.045330
InChI
InChI=1S/C15H17N7O5S3/c1-21-14(18-19-20-21)30-6-8-5-29-13-15(27-2,17-9(23)7-28-4-3-16)12(26)22(13)10(8)11(24)25/h13H,4-7H2,1-2H3,(H,17,23)(H,24,25)/t13-,15+/m1/s1
InChIKey
SNBUBQHDYVFSQF-HIFRSBDPSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
5
Fraction Csp3
0.53
Rotatable bonds
9
H-bond acceptors
12
H-bond donors
2
Molar refractivity
108.1
TPSA
163.33

LogP / Solubility

WLOGP
-0.73
MLOGP
-0.61
XLogP3
-0.6
Consensus LogP
-0.65
Log S (ESOL)
-1.83
Class (ESOL)
Soluble
Log S (Ali)
-2.9
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.2
Class (SILICOS-IT)
Poorly 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)
-6.11

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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