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CAS 11075-87-9 Lipoxamycin molecular structure lightbox
CAS RN: 11075-87-9

Lipoxamycin

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260204 5mg / 10mg / 25mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS11075-87-9
  • Purity/Analytical Methods: >99.0%
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11075-87-9 / (2S)-2-amino-N,3-dihydroxy-N-(14-methyl-3,10-dioxopentadecyl)propanamide

Lipoxamycin | (2S)-2-amino-N,3-dihydroxy-N-(14-methyl-3,10-dioxopentadecyl)propanamide | RefChem:153629

Standard CAS: 11075-87-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
11075-87-9
Multi CAS
Yes
Molecular Formula
C19H36N2O5
Molecular Weight
372.500000
Exact Mass
372.262422
SMILES
CC(C)CCCC(=O)CCCCCCC(=O)CCN(C(=O)[C@H](CO)N)O
InChI
InChI=1S/2C19H36N2O5.H2O4S/c2*1-15(2)8-7-11-16(23)9-5-3-4-6-10-17(24)12-13-21(26)19(25)18(20)14-22;1-5(2,3)4/h2*15,18,22,26H,3-14,20H2,1-2H3;(H2,1,2,3,4)/t2*18-;/m00./s1
InChIKey
LQVOFMWEPHCSIY-IJBYHFJWSA-N
Synonyms
Lipoxamycin (2S)-2-amino-N,3-dihydroxy-N-(14-methyl-3,10-dioxopentadecyl)propanamide RefChem:153629 Neoenactin M1 Propanamide, 2-amino-N,3-dihydroxy-N-(14-methyl-3,10-dioxopentadecyl)-, (S)-

Computed Properties

Structural Parameters

Heavy atom count
26
Fraction Csp3
0.84
Rotatable bonds
16
H-bond acceptors
6
H-bond donors
3
Molar refractivity
99.58
TPSA
120.93

LogP / Solubility

WLOGP
2.22
MLOGP
1.97
XLogP3
0.9
Consensus LogP
1.7
Log S (ESOL)
-2.49
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.84
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.42

Drug-likeness / Medicinal Chemistry

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

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