CAS RN: 29457-07-6
TICARCILLIN DISODIUM SALT
Product Availability
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2 package records2 with current stock1 grade group
- Product code: starshine_CAS29457-07-6
- Purity/Analytical Methods: >99.0%
29457-07-6 / disodium;(2S,5R,6R)-6-[[(2R)-2-carboxylato-2-thiophen-3-ylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Basic Information
CAS
29457-07-6
Multi CAS
Yes
Molecular Formula
C15H14N2NA2O6S2
Molecular Weight
428.400000
Exact Mass
428.008867
InChI
InChI=1S/C15H16N2O6S2.2Na/c1-15(2)9(14(22)23)17-11(19)8(12(17)25-15)16-10(18)7(13(20)21)6-3-4-24-5-6;;/h3-5,7-9,12H,1-2H3,(H,16,18)(H,20,21)(H,22,23);;/q;2*+1/p-2/t7-,8-,9+,12-;;/m1../s1
InChIKey
ZBBCUBMBMZNEME-QBGWIPKPSA-L
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
5
Fraction Csp3
0.47
Rotatable bonds
5
H-bond acceptors
8
H-bond donors
1
Molar refractivity
85.1
TPSA
129.67
LogP / Solubility
WLOGP
-8.11
MLOGP
-7.11
XLogP3
-8.11
Consensus LogP
-7.78
Log S (ESOL)
2.81
Class (ESOL)
Highly soluble
Log S (Ali)
2.79
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
3.69
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)
-11.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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- CAS RN: 29475-98-7
- Product Code: starshine_CAS29475-98-7
- Purity/Analytical method: >99.0%
