![CAS 178422-42-9 Cefdinir Related Compound A (10 mg) (2(R)-2-[(Z)-2-(2-aminothiazol-4-yl)-2-(hydroxyimino)acetamido]-2-[(2RS,5RS)-5-methyl-7-oxo-2,4,5,7-tetrahydro-1Hfuro[3,4-d][1,3]thiazin-2-yl]acetic acid) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/178422-42-9.gif)
CAS RN: 178422-42-9
Cefdinir Related Compound A (10 mg) (2(R)-2-[(Z)-2-(2-aminothiazol-4-yl)-2-(hydroxyimino)acetamido]-2-[(2RS,5RS)-5-methyl-7-oxo-2,4,5,7-tetrahydro-1Hfuro[3,4-d][1,3]thiazin-2-yl]acetic acid)
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.20250731 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS178422-42-9
- Purity/Analytical Methods: >99.0%
178422-42-9 / (2R)-2-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-2-(5-methyl-7-oxo-1,2,4,5-tetrahydrofuro[3,4-d][1,3]thiazin-2-yl)acetic acid
Basic Information
CAS
178422-42-9
Multi CAS
No
Molecular Formula
C14H15N5O6S2
Molecular Weight
413.400000
Exact Mass
413.046376
SMILES
CC1C2=C(C(=O)O1)NC(SC2)[C@@H](C(=O)O)NC(=O)/C(=N\O)/C3=CSC(=N3)N
InChI
InChI=1S/C14H15N5O6S2/c1-4-5-2-26-11(18-7(5)13(23)25-4)9(12(21)22)17-10(20)8(19-24)6-3-27-14(15)16-6/h3-4,9,11,18,24H,2H2,1H3,(H2,15,16)(H,17,20)(H,21,22)/b19-8-/t4?,9-,11?/m0/s1
InChIKey
DKFLDACXFQGVEO-YJHPLJFSSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
5
Fraction Csp3
0.36
Rotatable bonds
5
H-bond acceptors
11
H-bond donors
5
Molar refractivity
96.38
TPSA
176.23
LogP / Solubility
WLOGP
-0.67
MLOGP
-0.56
XLogP3
1.1
Consensus LogP
-0.04
Log S (ESOL)
-1.79
Class (ESOL)
Soluble
Log S (Ali)
-2.47
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.4
Class (SILICOS-IT)
Moderately 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)
-5.71
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
4
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