CAS RN: 1707602-10-5
(4,4-Difluoro-1-methylcyclohexyl)methanamine hydrochloride
- Product code: SSC-075204
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: >97%
- 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.
1707602-10-5 / (4,4-difluoro-1-methylcyclohexyl)methanamine;hydrochloride
Basic Information
CAS
1707602-10-5
Multi CAS
No
Molecular Formula
C8H16ClF2N
Molecular Weight
199.670000
Exact Mass
199.093934
SMILES
CC1(CCC(CC1)(F)F)CN.Cl
InChI
InChI=1S/C8H15F2N.ClH/c1-7(6-11)2-4-8(9,10)5-3-7;/h2-6,11H2,1H3;1H
InChIKey
LMULQWFVIYWWAC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
47.82
TPSA
26.02
LogP / Solubility
WLOGP
2.58
MLOGP
2.27
XLogP3
2.58
Consensus LogP
2.48
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.22
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)
-2.1
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
-
![CAS 1707602-26-3 7-Bromo-1,2-dihydrospiro[indole-3,4′-piperidine]-2-one hydrochloride molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
7-Bromo-1,2-dihydrospiro[indole-3,4′-piperidine]-2-one hydrochloride
- CAS RN: 1707602-26-3
- Product Code: starshine_CAS1707602-26-3
- Purity/Analytical method: >99.0%
-
tert-Butyl 4-chloro-2-oxo-1,2-dihydrospiro[indole-3,4′-piperidine]-1′-carboxylat
- CAS RN: 1707602-35-4
- Product Code: SSC-075205
-
-
2-(3-Methoxyphenyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one hydrochloride
- CAS RN: 1707602-59-2
- Product Code: starshine_CAS1707602-59-2
- Purity/Analytical method: >99.0%
-
5-Bromospiro[Indoline-3,4′-Piperidin]-2-One Hydrochloride
- CAS RN: 1707713-79-8
- Product Code: starshine_CAS1707713-79-8
- Purity/Analytical method: >99.0%
-
tert-Butyl2-(4-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
- CAS RN: 1707713-85-6
- Product Code: starshine_CAS1707713-85-6
- Purity/Analytical method: >99.0%
![CAS 1707602-26-3 7-Bromo-1,2-dihydrospiro[indole-3,4′-piperidine]-2-one hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1707602-26-3.gif)
![CAS 1707602-35-4 tert-Butyl 4-chloro-2-oxo-1,2-dihydrospiro[indole-3,4′-piperidine]-1′-carboxylat molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1707602-35-4.gif)
![CAS 1707602-59-2 2-(3-Methoxyphenyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB72698536.gif)
![CAS 1707713-79-8 5-Bromospiro[Indoline-3,4′-Piperidin]-2-One Hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1707713-79-8.gif)
![CAS 1707713-85-6 tert-Butyl2-(4-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1707713-85-6.gif)