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CAS 307297-39-8 Epitalon molecular structure lightbox
CAS RN: 307297-39-8

Epitalon

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250605 1mg / 5mg / 25mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS307297-39-8
  • Purity/Analytical Methods: >99.0%
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307297-39-8 / (4S)-4-[[(2S)-2-aminopropanoyl]amino]-5-[[(2S)-3-carboxy-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Standard CAS: 307297-39-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
307297-39-8
Multi CAS
Yes
Molecular Formula
C14H22N4O9
Molecular Weight
390.350000
Exact Mass
390.138678
InChI
InChI=1S/C14H22N4O9/c1-6(15)12(25)17-7(2-3-9(19)20)14(27)18-8(4-10(21)22)13(26)16-5-11(23)24/h6-8H,2-5,15H2,1H3,(H,16,26)(H,17,25)(H,18,27)(H,19,20)(H,21,22)(H,23,24)/t6-,7-,8-/m0/s1
InChIKey
HGHOBRRUMWJWCU-FXQIFTODSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Fraction Csp3
0.57
Rotatable bonds
12
H-bond acceptors
7
H-bond donors
7
Molar refractivity
87.28
TPSA
225.22

LogP / Solubility

WLOGP
-3.16
MLOGP
-2.75
XLogP3
-5.5
Consensus LogP
-3.8
Log S (ESOL)
0.52
Class (ESOL)
Highly soluble
Log S (Ali)
-0.48
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.02
Class (SILICOS-IT)
Soluble

ADME

GI absorption
Low
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)
-7.34

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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