![CAS 2751265-32-2 3-Azabicyclo[3.2.0]heptane-1-carboxylic acid, 3-(phenylmethyl)-, methyl ester, (1R,5R)-rel- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2751265-32-2.gif)
CAS RN: 2751265-32-2
3-Azabicyclo[3.2.0]heptane-1-carboxylic acid, 3-(phenylmethyl)-, methyl ester, (1R,5R)-rel-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260214 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2751265-32-2
- Purity/Analytical Methods: >99.0%
2751265-32-2 / methyl (1S,5S)-3-benzyl-3-azabicyclo[3.2.0]heptane-1-carboxylate
Basic Information
CAS
2751265-32-2
Multi CAS
Yes
Molecular Formula
C15H19NO2
Molecular Weight
245.320000
Exact Mass
245.141579
InChI
InChI=1S/C15H19NO2/c1-18-14(17)15-8-7-13(15)10-16(11-15)9-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3/t13-,15-/m1/s1
InChIKey
RRJBIWLHSMLLKD-UKRRQHHQSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
68.89
TPSA
29.54
LogP / Solubility
WLOGP
2.07
MLOGP
1.83
XLogP3
2
Consensus LogP
1.97
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.33
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.75
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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