CAS RN: 51154-48-4
fibracillin
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.20250623 | 1mg / 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS51154-48-4
- Purity/Analytical Methods: >99.0%
51154-48-4 / (2S,5R,6R)-6-[[(2R)-2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Basic Information
CAS
51154-48-4
Multi CAS
Yes
Molecular Formula
C26H28CLN3O6S
Molecular Weight
546.000000
Exact Mass
545.138735
InChI
InChI=1S/C26H28ClN3O6S/c1-25(2,36-16-12-10-15(27)11-13-16)24(35)29-17(14-8-6-5-7-9-14)20(31)28-18-21(32)30-19(23(33)34)26(3,4)37-22(18)30/h5-13,17-19,22H,1-4H3,(H,28,31)(H,29,35)(H,33,34)/t17-,18-,19+,22-/m1/s1
InChIKey
BSIJLJGDLNRGBY-NXWNEQKCSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
12
Fraction Csp3
0.38
Rotatable bonds
8
H-bond acceptors
6
H-bond donors
3
Molar refractivity
139.14
TPSA
125.04
LogP / Solubility
WLOGP
2.99
MLOGP
2.67
XLogP3
3.8
Consensus LogP
3.15
Log S (ESOL)
-4.82
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.19
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.65
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6.5
