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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
209185-99-9 / 1,3,3,5,5-pentamethylcyclohexan-1-amine;hydrochloride
Basic Information
CAS
209185-99-9
Multi CAS
No
Molecular Formula
C11H24ClN
Molecular Weight
205.770000
Exact Mass
205.159728
SMILES
CC1(CC(CC(C1)(C)N)(C)C)C.Cl
InChI
InChI=1S/C11H23N.ClH/c1-9(2)6-10(3,4)8-11(5,12)7-9;/h6-8,12H2,1-5H3;1H
InChIKey
BBZGRRQNLIQLGP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
61.25
TPSA
26.02
LogP / Solubility
WLOGP
3.36
MLOGP
2.96
XLogP3
3.36
Consensus LogP
3.23
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.67
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.79
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)
-1.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
N-BENZYL-2-HYDROXY-BENZAMIDE
- CAS RN: 20919-36-2
- Product Code: starshine_CAS20919-36-2
- Purity/Analytical method: >99.0%
-
6-Methoxychroman-2-one
- CAS RN: 20920-98-3
- Product Code: starshine_CAS20920-98-3
- Purity/Analytical method: >99.0%
-
-
-
-
