CAS RN: 1955541-61-3
3-(3-bromophenyl)morpholine hydrochloride
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.20250909 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1955541-61-3
- Purity/Analytical Methods: >99.0%
1955541-61-3 / 3-(3-bromophenyl)morpholine;hydrochloride
Basic Information
CAS
1955541-61-3
Multi CAS
No
Molecular Formula
C10H13BrClNO
Molecular Weight
278.570000
Exact Mass
276.986900
SMILES
C1COCC(N1)C2=CC(=CC=C2)Br.Cl
InChI
InChI=1S/C10H12BrNO.ClH/c11-9-3-1-2-8(6-9)10-7-13-5-4-12-10;/h1-3,6,10,12H,4-5,7H2;1H
InChIKey
MTBVFNOCXSGYMK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
62.95
TPSA
21.26
LogP / Solubility
WLOGP
2.53
MLOGP
2.24
XLogP3
2.53
Consensus LogP
2.43
Log S (ESOL)
-3.41
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.67
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.69
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Customers Also Viewed
-
![CAS 1955543-57-3 2-[3′-(9,9-dimethyl-9H-fluoren-2-yl)[1,1′-biphenyl]-3-yl]-4,6-diphenyl-1,3,5-triazine molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
2-[3′-(9,9-dimethyl-9H-fluoren-2-yl)[1,1′-biphenyl]-3-yl]-4,6-diphenyl-1,3,5-triazine
- CAS RN: 1955543-57-3
- Product Code: SSC-092299
-
-
4-Bromo-5,6,7,8-tetrahydro-1,7-naphthyridine dihydrobromide
- CAS RN: 1955547-21-3
- Product Code: SSC-092302
-
2-(tert-butoxycarbonyl)-2-azaspiro[4.5]decane-4-carboxylic acid
- CAS RN: 1955547-53-1
- Product Code: SSC-092304
-
Imidazo[1,2-a]pyridine-3-carboxylic acid, 2,7-dichloro-
- CAS RN: 1955547-68-8
- Product Code: SSC-092305
-
FMK 9a
- CAS RN: 1955550-51-2
- Product Code: starshine_CAS1955550-51-2
- Purity/Analytical method: >99.0%
![CAS 1955543-57-3 2-[3′-(9,9-dimethyl-9H-fluoren-2-yl)[1,1′-biphenyl]-3-yl]-4,6-diphenyl-1,3,5-triazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1955543-57-3.gif)
![CAS 1955547-53-1 2-(tert-butoxycarbonyl)-2-azaspiro[4.5]decane-4-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1955547-53-1.gif)
![CAS 1955547-68-8 Imidazo[1,2-a]pyridine-3-carboxylic acid, 2,7-dichloro- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1955547-68-8.gif)
