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CAS 10472-27-2 Hexanediamide, N1,N6-dibutyl- molecular structure lightbox
CAS RN: 10472-27-2

Hexanediamide, N1,N6-dibutyl-

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Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260425 200mg / 1g / 5g / 25g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: starshine_CAS10472-27-2
  • Purity/Analytical Methods: >99.0%
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10472-27-2 / N,N'-dibutylhexanediamide

Hexanediamide, N,N'-dibutyl- | DTXSID40394435 | RefChem:347622

Standard CAS: 10472-27-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
10472-27-2
Multi CAS
No
Molecular Formula
C14H28N2O2
Molecular Weight
256.380000
Exact Mass
256.215078
SMILES
CCCCNC(=O)CCCCC(=O)NCCCC
InChI
InChI=1S/C14H28N2O2/c1-3-5-11-15-13(17)9-7-8-10-14(18)16-12-6-4-2/h3-12H2,1-2H3,(H,15,17)(H,16,18)
InChIKey
ADUAOVRJMDDTIN-UHFFFAOYSA-N
Synonyms
Hexanediamide, N,N'-dibutyl- DTXSID40394435 RefChem:347622 DTXCID90345295 N,N'-dibutylhexanediamide

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.86
Rotatable bonds
11
H-bond acceptors
2
H-bond donors
2
Molar refractivity
74.3
TPSA
58.2

LogP / Solubility

WLOGP
2.38
MLOGP
2.1
XLogP3
1.9
Consensus LogP
2.13
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.38
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.62
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.59

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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