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CAS 27807-62-1 BIS(2-CHOROETHYL)-2-METHOXYETHYLAMINE molecular structure lightbox
CAS RN: 27807-62-1

BIS(2-CHOROETHYL)-2-METHOXYETHYLAMINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250509 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS27807-62-1
  • Purity/Analytical Methods: >99.0%
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27807-62-1 / N,N-bis(2-chloroethyl)-2-methoxyethanamine;hydrochloride

Standard CAS: 27807-62-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
27807-62-1
Multi CAS
Yes
Molecular Formula
C7H16CL3NO
Molecular Weight
236.600000
Exact Mass
235.029747
InChI
InChI=1S/C7H15Cl2NO.ClH/c1-11-7-6-10(4-2-8)5-3-9;/h2-7H2,1H3;1H
InChIKey
GQXKDGBUUPMWIY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
7
H-bond acceptors
2
H-bond donors
1
Molar refractivity
57
TPSA
12.47

LogP / Solubility

WLOGP
1.83
MLOGP
1.62
XLogP3
1.83
Consensus LogP
1.76
Log S (ESOL)
-2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.82
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.56
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)
-2.86

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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