![CAS 1473-47-8 Bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl chloride (7CI,9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1473-47-8.gif)
CAS RN: 1473-47-8
Bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl chloride (7CI,9CI)
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.20250520 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1473-47-8
- Purity/Analytical Methods: >99.0%
1473-47-8 / bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl chloride
Basic Information
CAS
1473-47-8
Multi CAS
No
Molecular Formula
C9H7ClO
Molecular Weight
166.600000
Exact Mass
166.018543
SMILES
C1C(C2=CC=CC=C21)C(=O)Cl
InChI
InChI=1S/C9H7ClO/c10-9(11)8-5-6-3-1-2-4-7(6)8/h1-4,8H,5H2
InChIKey
FRRRANOWXWHKJE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
43.75
TPSA
17.07
LogP / Solubility
WLOGP
2.09
MLOGP
1.84
XLogP3
2
Consensus LogP
1.98
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.44
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.6
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)
-2.25
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
-
-
-
-
TETRAETHYL(1,3)-(PROPYLENE-2-ONE)BISPHOSPHONATE
- CAS RN: 1475-91-8
- Product Code: SSC-058126
-
cis-1,4-Dichloro-2-butene
- CAS RN: 1476-11-5
- Product Code: starshine_CAS1476-11-5
- Purity/Analytical method: >99.0%
