CAS RN: 80096-60-2
4-(AMinoMethyl)chroMan-4-ol 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.20260506 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS80096-60-2
- Purity/Analytical Methods: >99.0%
80096-60-2 / 4-(aminomethyl)-2,3-dihydrochromen-4-ol;hydrochloride
Basic Information
CAS
80096-60-2
Multi CAS
No
Molecular Formula
C10H14CLNO2
Molecular Weight
215.670000
Exact Mass
215.071306
InChI
InChI=1S/C10H13NO2.ClH/c11-7-10(12)5-6-13-9-4-2-1-3-8(9)10;/h1-4,12H,5-7,11H2;1H
InChIKey
RFCPZINYUKLKDH-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
3
H-bond donors
2
Molar refractivity
56.75
TPSA
55.48
LogP / Solubility
WLOGP
1.04
MLOGP
0.91
XLogP3
1.04
Consensus LogP
1
Log S (ESOL)
-2.08
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.08
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.04
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)
-3.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
