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CAS 99290-97-8 ErythroMycin A 6,9-IMino Ether molecular structure lightbox
CAS RN: 99290-97-8

ErythroMycin A 6,9-IMino Ether

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Batchno.20250905 10mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS99290-97-8
  • Purity/Analytical Methods: >99.0%
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99290-97-8 / 12-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-6-ethyl-4,5-dihydroxy-10-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-3,5,9,11,13,15-hexamethyl-7,16-dioxa-2-azabicyclo[11.2.1]hexadec-1-en-8-one

Standard CAS: 99290-97-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
99290-97-8
Multi CAS
Yes
Molecular Formula
C37H66N2O12
Molecular Weight
730.900000
Exact Mass
730.461576
InChI
InChI=1S/C37H66N2O12/c1-14-25-37(10,44)29(41)22(6)38-32-18(2)16-36(9,51-32)31(50-34-27(40)24(39(11)12)15-19(3)46-34)20(4)28(21(5)33(43)48-25)49-26-17-35(8,45-13)30(42)23(7)47-26/h18-31,34,40-42,44H,14-17H2,1-13H3/t18-,19-,20+,21-,22-,23+,24+,25-,26+,27-,28+,29-,30+,31-,34+,35-,36-,37-/m1/s1
InChIKey
BPENQAXMHXRNMD-XBWOTNPQSA-N

Computed Properties

Structural Parameters

Heavy atom count
51
Fraction Csp3
0.95
Rotatable bonds
7
H-bond acceptors
14
H-bond donors
4
Molar refractivity
187.85
TPSA
178.2

LogP / Solubility

WLOGP
2.41
MLOGP
2.18
XLogP3
3
Consensus LogP
2.53
Log S (ESOL)
-5.43
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.29
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.25
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.47

Drug-likeness / Medicinal Chemistry

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

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