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CAS 1208229-58-6 Tepilamide fumarate molecular structure lightbox
CAS RN: 1208229-58-6

Tepilamide fumarate

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260108 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1208229-58-6
  • Purity/Analytical Methods: >99.0%
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1208229-58-6 / 4-O-[2-(diethylamino)-2-oxoethyl] 1-O-methyl (E)-but-2-enedioate

Tepilamide fumarate | XP23829 | KOS9TZ09CM

Standard CAS: 1208229-58-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1208229-58-6
Multi CAS
Yes
Molecular Formula
C11H17NO5
Molecular Weight
243.260000
Exact Mass
243.110673
SMILES
CCN(CC)C(=O)COC(=O)/C=C/C(=O)OC
InChI
InChI=1S/C11H17NO5/c1-4-12(5-2)9(13)8-17-11(15)7-6-10(14)16-3/h6-7H,4-5,8H2,1-3H3/b7-6+
InChIKey
AKUGRXRLHCCENI-VOTSOKGWSA-N
Synonyms
Tepilamide fumarate XP23829 KOS9TZ09CM Tepilamide fumarate [USAN] XP-23829

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.55
Rotatable bonds
6
H-bond acceptors
5
Molar refractivity
60.04
TPSA
72.91

LogP / Solubility

WLOGP
0.13
MLOGP
0.12
XLogP3
0.5
Consensus LogP
0.25
Log S (ESOL)
-1.03
Class (ESOL)
Soluble
Log S (Ali)
-1.65
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.07
Class (SILICOS-IT)
Moderately 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)
-4.11

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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