CAS RN: 147103-94-4
Cefadroxil Related CoMpound I
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250318 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS147103-94-4
- Purity/Analytical Methods: >99.0%
147103-94-4 / (6R,7R)-7-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid
Basic Information
CAS
147103-94-4
Multi CAS
No
Molecular Formula
C16H17N3O5S
Molecular Weight
363.400000
Exact Mass
363.088892
SMILES
CC1=CS[C@@H]2[C@@H](C(=O)N2C1C(=O)O)NC(=O)[C@@H](C3=CC=C(C=C3)O)N
InChI
InChI=1S/C16H17N3O5S/c1-7-6-25-15-11(14(22)19(15)12(7)16(23)24)18-13(21)10(17)8-2-4-9(20)5-3-8/h2-6,10-12,15,20H,17H2,1H3,(H,18,21)(H,23,24)/t10-,11-,12?,15-/m1/s1
InChIKey
VCALASAGQUABEC-XOGJBXBPSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.31
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
4
Molar refractivity
90.37
TPSA
132.96
LogP / Solubility
WLOGP
0.15
MLOGP
0.15
XLogP3
-2.3
Consensus LogP
-0.67
Log S (ESOL)
-2.1
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.65
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.63
Class (SILICOS-IT)
Moderately 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)
-4.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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