CAS RN: 64953-12-4
Latamoxef sodium
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS64953-12-4
- Purity/Analytical Methods: >99.0%
64953-12-4 / (6R,7R)-7-[[2-carboxy-2-(4-hydroxyphenyl)acetyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Basic Information
CAS
64953-12-4
Multi CAS
Yes
Molecular Formula
C20H20N6O9S
Molecular Weight
520.500000
Exact Mass
520.101247
InChI
InChI=1S/C20H20N6O9S.2Na/c1-25-19(22-23-24-25)36-8-10-7-35-18-20(34-2,17(33)26(18)13(10)16(31)32)21-14(28)12(15(29)30)9-3-5-11(27)6-4-9;;/h3-6,12,18,27H,7-8H2,1-2H3,(H,21,28)(H,29,30)(H,31,32);;/q;2*+1/p-2
InChIKey
GRIXGZQULWMCLU-UHFFFAOYSA-L
Physical Properties
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
11
Fraction Csp3
0.35
Rotatable bonds
9
H-bond acceptors
12
H-bond donors
4
Molar refractivity
117.14
TPSA
206.3
LogP / Solubility
WLOGP
-1.13
MLOGP
-0.95
XLogP3
-0.6
Consensus LogP
-0.89
Log S (ESOL)
-1.99
Class (ESOL)
Soluble
Log S (Ali)
-3.01
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.19
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)
-6.7
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
6
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