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CAS 75738-58-8 Cefmenoxime hydrochloride molecular structure lightbox
CAS RN: 75738-58-8

Cefmenoxime hydrochloride

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3 package records3 with current stock1 grade group
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Batchno.20260612 1g In stock Inquiry
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  • Product code: starshine_CAS75738-58-8
  • Purity/Analytical Methods: >99.0%
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75738-58-8 / (6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydrochloride

Standard CAS: 75738-58-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
75738-58-8
Multi CAS
Yes
Molecular Formula
C16H18CLN9O5S3
Molecular Weight
548.000000
Exact Mass
547.028156
InChI
InChI=1S/2C16H17N9O5S3.ClH/c2*1-24-16(20-22-23-24)33-4-6-3-31-13-9(12(27)25(13)10(6)14(28)29)19-11(26)8(21-30-2)7-5-32-15(17)18-7;/h2*5,9,13H,3-4H2,1-2H3,(H2,17,18)(H,19,26)(H,28,29);1H/b2*21-8-;/t2*9-,13-;/m11./s1
InChIKey
MPTNDTIREFCQLK-UNVJPQNDSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
10
Fraction Csp3
0.38
Rotatable bonds
8
H-bond acceptors
14
H-bond donors
3
Molar refractivity
126.53
TPSA
190.81

LogP / Solubility

WLOGP
-0.45
MLOGP
-0.35
XLogP3
-0.45
Consensus LogP
-0.42
Log S (ESOL)
-2.65
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.73
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.81
Class (SILICOS-IT)
Poorly 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)
-6.38

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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