Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
856563-65-0 / 1-(3-chlorophenyl)cyclopentan-1-amine
Basic Information
CAS
856563-65-0
Multi CAS
No
Molecular Formula
C11H14CLN
Molecular Weight
195.690000
Exact Mass
195.081477
InChI
InChI=1S/C11H14ClN/c12-10-5-3-4-9(8-10)11(13)6-1-2-7-11/h3-5,8H,1-2,6-7,13H2
InChIKey
YOBFSMIZMFYSRN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
55.79
TPSA
26.02
LogP / Solubility
WLOGP
3.07
MLOGP
2.7
XLogP3
2.5
Consensus LogP
2.76
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.38
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.6
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)
-1.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
-
1 2 4-TRIMETHYLPYRAZOLIUM METHYLSULFATE
- CAS RN: 856614-13-6
- Product Code: starshine_CAS856614-13-6
- Purity/Analytical method: >99.0%
-
O-desmethyl Mebeverine alcohol (hydrochloride)
- CAS RN: 856620-39-8
- Product Code: starshine_CAS856620-39-8
- Purity/Analytical method: >99.0%
-
