CAS RN: 77835-31-5
BOC-1,5-DIAMINOPENTANE HYDROCHLORIDE
Product Availability
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS77835-31-5
- Purity/Analytical Methods: >99.0%
77835-31-5 / tert-butyl N-(5-aminopentyl)carbamate;hydrochloride
Basic Information
CAS
77835-31-5
Multi CAS
Yes
Molecular Formula
C10H23CLN2O2
Molecular Weight
238.750000
Exact Mass
238.144806
InChI
InChI=1S/C10H22N2O2.ClH/c1-10(2,3)14-9(13)12-8-6-4-5-7-11;/h4-8,11H2,1-3H3,(H,12,13);1H
InChIKey
NGACMARYMMZIFV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.9
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
64.39
TPSA
64.35
LogP / Solubility
WLOGP
2.06
MLOGP
1.82
XLogP3
2.06
Consensus LogP
1.98
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.01
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.52
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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