![CAS 885275-74-1 1-BOC-4-(CARBOXY-NAPHTHALEN-2-YL-METHYL)-[1,4]DIAZEPANE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/885275-74-1.gif)
CAS RN: 885275-74-1
1-BOC-4-(CARBOXY-NAPHTHALEN-2-YL-METHYL)-[1,4]DIAZEPANE
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.20250417 | 100mg / 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS885275-74-1
- Purity/Analytical Methods: >99.0%
885275-74-1 / 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-diazepan-1-yl]-2-naphthalen-2-ylacetic acid
Basic Information
CAS
885275-74-1
Multi CAS
No
Molecular Formula
C22H28N2O4
Molecular Weight
384.500000
Exact Mass
384.204907
InChI
InChI=1S/C22H28N2O4/c1-22(2,3)28-21(27)24-12-6-11-23(13-14-24)19(20(25)26)18-10-9-16-7-4-5-8-17(16)15-18/h4-5,7-10,15,19H,6,11-14H2,1-3H3,(H,25,26)
InChIKey
MAKZZXDCBWXPEM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
10
Fraction Csp3
0.45
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
108.32
TPSA
70.08
LogP / Solubility
WLOGP
3.91
MLOGP
3.46
XLogP3
1.5
Consensus LogP
2.96
Log S (ESOL)
-4.75
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.53
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.76
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.29
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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