CAS RN: 61-24-5
7-(5-amino-5-carboxyvaleramido)cephalosporanic 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.20250523 | 25mg / 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS61-24-5
- Purity/Analytical Methods: >99.0%
61-24-5 / 3-(acetyloxymethyl)-7-[(5-amino-5-carboxypentanoyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Basic Information
CAS
61-24-5
Multi CAS
Yes
Molecular Formula
C16H21N3O8S
Molecular Weight
415.400000
Exact Mass
415.104936
InChI
InChI=1S/C16H21N3O8S/c1-7(20)27-5-8-6-28-14-11(13(22)19(14)12(8)16(25)26)18-10(21)4-2-3-9(17)15(23)24/h9,11,14H,2-6,17H2,1H3,(H,18,21)(H,23,24)(H,25,26)/t9-,11-,14-/m1/s1
InChIKey
HOKIDJSKDBPKTQ-GLXFQSAKSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Fraction Csp3
0.56
Rotatable bonds
9
H-bond acceptors
8
H-bond donors
4
Molar refractivity
95.78
TPSA
176.33
LogP / Solubility
WLOGP
-1.13
MLOGP
-0.97
XLogP3
-4.4
Consensus LogP
-2.17
Log S (ESOL)
-1.11
Class (ESOL)
Soluble
Log S (Ali)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.5
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)
-6.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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