CAS RN: 297175-66-7
Amoxicillin Impurity 3
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260124 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS297175-66-7
- Purity/Analytical Methods: >99.0%
297175-66-7 / (2S,4S)-2-[[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-2-[(2S,4S)-4-carboxy-5,5-dimethyl-1,3-thiazolidin-2-yl]acetyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
Basic Information
CAS
297175-66-7
Multi CAS
No
Molecular Formula
C31H40N6O9S2
Molecular Weight
704.800000
Exact Mass
704.229819
InChI
InChI=1S/C31H40N6O9S2/c1-30(2)22(28(43)44)34-18(47-30)13-33-25(41)20(15-7-11-17(39)12-8-15)35-26(42)21(27-37-23(29(45)46)31(3,4)48-27)36-24(40)19(32)14-5-9-16(38)10-6-14/h5-12,18-23,27,34,37-39H,13,32H2,1-4H3,(H,33,41)(H,35,42)(H,36,40)(H,43,44)(H,45,46)/t18-,19+,20+,21+,22-,23-,27-/m0/s1
InChIKey
GBMFOLARNNKQAS-MRRSUYAJSA-N
Computed Properties
Structural Parameters
Heavy atom count
48
Aromatic heavy atom count
12
Fraction Csp3
0.45
Rotatable bonds
12
H-bond acceptors
12
H-bond donors
10
Molar refractivity
179
TPSA
252.44
LogP / Solubility
WLOGP
0.34
MLOGP
0.36
XLogP3
-3.7
Consensus LogP
-1
Log S (ESOL)
-3.82
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.59
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.97
Class (SILICOS-IT)
Slightly 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)
-6.77
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
8
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