![CAS 1414513-75-9 6-Phenyl-2-oxa-spiro[3.3]heptane-6-carbonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1414513-75-9.gif)
CAS RN: 1414513-75-9
6-Phenyl-2-oxa-spiro[3.3]heptane-6-carbonitrile
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.20260605 | 1g / 5g | Out of stock | 30 business days | Inquiry |
- Product code: SSC-051742
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g
- Available purity: >95%
- Inventory rows with stock: 2
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
1414513-75-9 / 6-phenyl-2-oxaspiro[3.3]heptane-6-carbonitrile
Basic Information
CAS
1414513-75-9
Multi CAS
No
Molecular Formula
C13H13NO
Molecular Weight
199.250000
Exact Mass
199.099714
SMILES
C1C2(CC1(C#N)C3=CC=CC=C3)COC2
InChI
InChI=1S/C13H13NO/c14-8-13(11-4-2-1-3-5-11)6-12(7-13)9-15-10-12/h1-5H,6-7,9-10H2
InChIKey
QZGRQRCGRXVDNX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
56.22
TPSA
33.02
LogP / Solubility
WLOGP
2.26
MLOGP
1.99
XLogP3
1.7
Consensus LogP
1.98
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.82
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.95
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
-
1,3-bis(4-carboxyphenyl)imidazoliumchloride
- CAS RN: 1414629-40-5
- Product Code: starshine_CAS1414629-40-5
- Purity/Analytical method: >99.0%
-
2-aMino-N-(2,2-difluoroethyl)acetaMide hydrochloride
- CAS RN: 1414642-43-5
- Product Code: SSC-051753
-
5,6-Dihydro-2-phenyl-8H-1,2,4-triazolo[3,4-c][1,4]oxazinium tetrafluoroborate
- CAS RN: 1414773-56-0
- Product Code: SSC-051758
-
TERT-BUTYL 4-(3-(TRIFLUOROMETHYL)BENZOYL)PIPERIDINE-1-CARBOXYLATE
- CAS RN: 1414778-16-7
- Product Code: SSC-051759
-
“Peonidin-3-O-P-Hydroxybenzoyl Sophoroside-5-O-β-D-glucoside”
- CAS RN: 1414781-79-5
- Product Code: starshine_CAS1414781-79-5
- Purity/Analytical method: >99.0%
![CAS 1414773-56-0 5,6-Dihydro-2-phenyl-8H-1,2,4-triazolo[3,4-c][1,4]oxazinium tetrafluoroborate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1414773-56-0.gif)
