CAS RN: 38849-14-8
Maprotiline Related CoMpound D
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.20251130 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS38849-14-8
- Purity/Analytical Methods: >99.0%
38849-14-8 / (E)-N-methyl-3-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)prop-2-en-1-amine;hydrochloride
Basic Information
CAS
38849-14-8
Multi CAS
Yes
Molecular Formula
C20H22CLN
Molecular Weight
311.800000
Exact Mass
311.144077
InChI
InChI=1S/C20H21N.ClH/c1-21-14-6-12-20-13-11-15(16-7-2-4-9-18(16)20)17-8-3-5-10-19(17)20;/h2-10,12,15,21H,11,13-14H2,1H3;1H/b12-6+;
InChIKey
BBNBXLRSBFJQNO-WXIWBVQFSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
95.06
TPSA
12.03
LogP / Solubility
WLOGP
4.41
MLOGP
3.89
XLogP3
4.41
Consensus LogP
4.24
Log S (ESOL)
-4.76
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.3
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.71
Class (SILICOS-IT)
Slightly soluble
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
No
Log Kp (skin permeation)
-1.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5
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