[email protected]
CAS 992-65-4 Erythromycin, N-oxide molecular structure lightbox
CAS RN: 992-65-4

Erythromycin, N-oxide

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260217 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS992-65-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

992-65-4 / (2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-6-yl]oxy]-3-hydroxy-N,N,6-trimethyloxan-4-amine oxide

Standard CAS: 992-65-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
992-65-4
Multi CAS
Yes
Molecular Formula
C37H67NO14
Molecular Weight
749.900000
Exact Mass
749.456156
InChI
InChI=1S/C37H67NO14/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(52-34-28(40)24(38(11,12)46)15-19(3)48-34)21(5)29(22(6)33(43)50-25)51-26-17-36(9,47-13)31(42)23(7)49-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1
InChIKey
LUIPOVCSQJTWHA-RWJQBGPGSA-N

Computed Properties

Structural Parameters

Heavy atom count
52
Fraction Csp3
0.95
Rotatable bonds
7
H-bond acceptors
14
H-bond donors
5
Molar refractivity
188.05
TPSA
213.73

LogP / Solubility

WLOGP
1.8
MLOGP
1.65
XLogP3
2.7
Consensus LogP
2.05
Log S (ESOL)
-5.16
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.01
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.87
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.02

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

Customers Also Viewed

Get In Touch

Contact Us