CAS RN: 52152-93-9
cefsulodin sodium salt
Product Availability
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6 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250702 | 1ml | In stock | Inquiry |
- Product code: starshine_CAS52152-93-9
- Purity/Analytical Methods: >99.0%
52152-93-9 / sodium (6R,7R)-3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-oxo-7-[[(2R)-2-phenyl-2-sulfonatoacetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Basic Information
CAS
52152-93-9
Multi CAS
Yes
Molecular Formula
C22H19N4NAO8S2
Molecular Weight
554.500000
Exact Mass
554.054200
InChI
InChI=1S/C22H20N4O8S2.Na/c23-18(27)13-6-8-25(9-7-13)10-14-11-35-21-15(20(29)26(21)16(14)22(30)31)24-19(28)17(36(32,33)34)12-4-2-1-3-5-12;/h1-9,15,17,21H,10-11H2,(H4-,23,24,27,28,30,31,32,33,34);/q;+1/p-1/t15-,17-,21-;/m1./s1
InChIKey
REACMANCWHKJSM-DWBVFMGKSA-M
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
12
Fraction Csp3
0.23
Rotatable bonds
8
H-bond acceptors
9
H-bond donors
2
Molar refractivity
121.09
TPSA
193.71
LogP / Solubility
WLOGP
-5.23
MLOGP
-4.56
XLogP3
-5.23
Consensus LogP
-5.01
Log S (ESOL)
0.31
Class (ESOL)
Highly soluble
Log S (Ali)
-0.33
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.12
Class (SILICOS-IT)
Highly 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)
-9.82
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
6
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