![CAS 75321-08-3 (5R,6S)-3-[(Diphenoxyphosphinyl)oxy]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrophenyl)methyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/75321-08-3.gif)
CAS RN: 75321-08-3
(5R,6S)-3-[(Diphenoxyphosphinyl)oxy]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrophenyl)methyl ester
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.20250430 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS75321-08-3
- Purity/Analytical Methods: >99.0%
75321-08-3 / (4-nitrophenyl)methyl (5R,6S)-3-diphenoxyphosphoryloxy-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
Basic Information
CAS
75321-08-3
Multi CAS
Yes
Molecular Formula
C28H25N2O10P
Molecular Weight
580.500000
Exact Mass
580.124682
InChI
InChI=1S/C28H25N2O10P/c1-18(31)25-23-16-24(40-41(36,38-21-8-4-2-5-9-21)39-22-10-6-3-7-11-22)26(29(23)27(25)32)28(33)37-17-19-12-14-20(15-13-19)30(34)35/h2-15,18,23,25,31H,16-17H2,1H3/t18-,23-,25-/m1/s1
InChIKey
VVLXPESSYNCTFQ-DVKBMCPXSA-N
Computed Properties
Structural Parameters
Heavy atom count
41
Aromatic heavy atom count
18
Fraction Csp3
0.21
Rotatable bonds
11
H-bond acceptors
10
H-bond donors
1
Molar refractivity
143.17
TPSA
154.74
LogP / Solubility
WLOGP
4.74
MLOGP
4.22
XLogP3
4.4
Consensus LogP
4.45
Log S (ESOL)
-6.03
Class (ESOL)
Insoluble
Log S (Ali)
-7.75
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.69
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.89
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
6.5
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- Product Code: SSC-184787
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