CAS RN: 1030021-40-9
CMP5
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250531 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1030021-40-9
- Purity/Analytical Methods: >99.0%
1030021-40-9 / 1-(9-ethylcarbazol-3-yl)-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CMP5 | CMP-5 hydrochloride | CMP-5 (hydrochloride)
Basic Information
CAS
1030021-40-9
Multi CAS
No
Molecular Formula
C21H22ClN3
Molecular Weight
351.900000
Exact Mass
351.150225
SMILES
CCN1C2=C(C=C(C=C2)CNCC3=CC=CC=N3)C4=CC=CC=C41.Cl
InChI
InChI=1S/C21H21N3.ClH/c1-2-24-20-9-4-3-8-18(20)19-13-16(10-11-21(19)24)14-22-15-17-7-5-6-12-23-17;/h3-13,22H,2,14-15H2,1H3;1H
InChIKey
LTMOFUKBECEABM-UHFFFAOYSA-N
Synonyms
CMP5
CMP-5 hydrochloride
CMP-5 (hydrochloride)
1-(9-ethylcarbazol-3-yl)-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
1-(9-Ethyl-9H-carbazol-3-yl)-N-(pyridin-2-ylmethyl)methanamine hydrochloride
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
19
Fraction Csp3
0.19
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
107.15
TPSA
29.85
LogP / Solubility
WLOGP
4.92
MLOGP
4.35
XLogP3
4.92
Consensus LogP
4.73
Log S (ESOL)
-5.35
Class (ESOL)
Slightly soluble
Log S (Ali)
-6
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.63
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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