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CAS 210240-75-8 Carbamic acid, (3-aminopentyl)-, 1,1-dimethylethyl ester (9CI) molecular structure lightbox
CAS RN: 210240-75-8

Carbamic acid, (3-aminopentyl)-, 1,1-dimethylethyl ester (9CI)

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250502 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS210240-75-8
  • Purity/Analytical Methods: >99.0%
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210240-75-8 / tert-butyl N-(3-aminopentyl)carbamate;hydrochloride

Standard CAS: 210240-75-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
210240-75-8
Multi CAS
No
Molecular Formula
C10H23ClN2O2
Molecular Weight
238.750000
Exact Mass
238.144806
SMILES
CCC(CCNC(=O)OC(C)(C)C)N.Cl
InChI
InChI=1S/C10H22N2O2.ClH/c1-5-8(11)6-7-12-9(13)14-10(2,3)4;/h8H,5-7,11H2,1-4H3,(H,12,13);1H
InChIKey
RRFSFDNWOSRURZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.9
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
64.37
TPSA
64.35

LogP / Solubility

WLOGP
2.06
MLOGP
1.82
XLogP3
2.06
Consensus LogP
1.98
Log S (ESOL)
-2.35
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.01
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.4
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
Leadlikeness
No
Synthetic Accessibility
2

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