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CAS 816432-15-2 CEP dipeptide 1 molecular structure lightbox
CAS RN: 816432-15-2

CEP dipeptide 1

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260205 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS816432-15-2
  • Purity/Analytical Methods: >99.0%
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816432-15-2 / 3-[1-[5-[(2-acetamidoacetyl)amino]-6-methoxy-6-oxohexyl]pyrrol-2-yl]propanoic acid

Standard CAS: 816432-15-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
816432-15-2
Multi CAS
Yes
Molecular Formula
C18H27N3O6
Molecular Weight
381.400000
Exact Mass
381.189986
InChI
InChI=1S/C18H27N3O6/c1-13(22)19-12-16(23)20-15(18(26)27-2)7-3-4-10-21-11-5-6-14(21)8-9-17(24)25/h5-6,11,15H,3-4,7-10,12H2,1-2H3,(H,19,22)(H,20,23)(H,24,25)/t15-/m0/s1
InChIKey
VBZGZUAKQLIUCN-HNNXBMFYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
5
Fraction Csp3
0.56
Rotatable bonds
12
H-bond acceptors
6
H-bond donors
3
Molar refractivity
96.87
TPSA
126.73

LogP / Solubility

WLOGP
0.47
MLOGP
0.43
XLogP3
0.1
Consensus LogP
0.33
Log S (ESOL)
-1.85
Class (ESOL)
Soluble
Log S (Ali)
-3.03
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.97
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.71

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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