![CAS 1264298-11-4 (3R,7aS)-Methyl 5-oxo-3-phenylhexahydropyrrolo[1,2-c]oxazole-6-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1264298-11-4.gif)
CAS RN: 1264298-11-4
(3R,7aS)-Methyl 5-oxo-3-phenylhexahydropyrrolo[1,2-c]oxazole-6-carboxylate
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260506 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1264298-11-4
- Purity/Analytical Methods: >99.0%
1264298-11-4 / methyl (3R,7aS)-5-oxo-3-phenyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole-6-carboxylate
Basic Information
CAS
1264298-11-4
Multi CAS
No
Molecular Formula
C14H15NO4
Molecular Weight
261.270000
Exact Mass
261.100108
SMILES
COC(=O)C1C[C@H]2CO[C@@H](N2C1=O)C3=CC=CC=C3
InChI
InChI=1S/C14H15NO4/c1-18-14(17)11-7-10-8-19-13(15(10)12(11)16)9-5-3-2-4-6-9/h2-6,10-11,13H,7-8H2,1H3/t10-,11?,13+/m0/s1
InChIKey
YWEWUMPGZRYRBN-CCQDYZPNSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
65.89
TPSA
55.84
LogP / Solubility
WLOGP
1.11
MLOGP
0.98
XLogP3
1.2
Consensus LogP
1.1
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.5
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.52
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3
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