CAS RN: 1956436-49-9
(4S)-7-METHYL-3,4-DIHYDRO-2H-1-BENZOPYRAN-4-AMINE HCl
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.20260129 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1956436-49-9
- Purity/Analytical Methods: >99.0%
1956436-49-9 / (4S)-7-methyl-3,4-dihydro-2H-chromen-4-amine;hydrochloride
Basic Information
CAS
1956436-49-9
Multi CAS
No
Molecular Formula
C10H14ClNO
Molecular Weight
199.680000
Exact Mass
199.076392
SMILES
CC1=CC2=C(C=C1)[C@H](CCO2)N.Cl
InChI
InChI=1S/C10H13NO.ClH/c1-7-2-3-8-9(11)4-5-12-10(8)6-7;/h2-3,6,9H,4-5,11H2,1H3;1H/t9-;/m0./s1
InChIKey
MHKGPURQDGVONT-FVGYRXGTSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
55.47
TPSA
35.25
LogP / Solubility
WLOGP
2.2
MLOGP
1.94
XLogP3
2.2
Consensus LogP
2.11
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.79
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.78
Class (SILICOS-IT)
Moderately 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)
-2.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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