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CAS 119665-62-2 Intermediate of Clarithromycin molecular structure lightbox
CAS RN: 119665-62-2

Intermediate of Clarithromycin

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Batchno.20260328 1g / 10g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS119665-62-2
  • Purity/Analytical Methods: >99.0%
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119665-62-2 / (3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-trimethylsilyloxyoxan-2-yl]oxy-10-(2-ethoxypropan-2-yloxyimino)-14-ethyl-12,13-dihydroxy-7-methoxy-4-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-trimethylsilyloxyoxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one

AKOS025402359 | AC-8371

Standard CAS: 119665-62-2 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
119665-62-2
Multi CAS
Yes
Molecular Formula
C49H96N2O14Si2
Molecular Weight
993.500000
Exact Mass
992.640009
SMILES
CC[C@@H]1[C@@]([C@@H]([C@H](/C(=N/OC(C)(C)OCC)/[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O[Si](C)(C)C)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O[Si](C)(C)C)(C)OC)C)C)O)(C)O
InChI
InChI=1S/C49H96N2O14Si2/c1-24-36-49(13,54)41(52)31(5)38(50-65-46(9,10)57-25-2)29(3)27-47(11,55-16)42(62-45-40(63-66(18,19)20)35(51(14)15)26-30(4)58-45)32(6)39(33(7)44(53)60-36)61-37-28-48(12,56-17)43(34(8)59-37)64-67(21,22)23/h29-37,39-43,45,52,54H,24-28H2,1-23H3/b50-38+/t29-,30+,31+,32+,33-,34+,35-,36-,37?,39+,40+,41-,42-,43+,45?,47-,48-,49-/m1/s1
InChIKey
SFTHBPKNOPSKEE-JNZBUZBNSA-N
Synonyms
AKOS025402359 AC-8371

Computed Properties

Structural Parameters

Heavy atom count
67
Fraction Csp3
0.96
Rotatable bonds
16
H-bond acceptors
16
H-bond donors
2
Molar refractivity
264.69
TPSA
174.66

LogP / Solubility

WLOGP
7.73
MLOGP
6.9
XLogP3
7.73
Consensus LogP
7.45
Log S (ESOL)
-9.82
Class (ESOL)
Insoluble
Log S (Ali)
-13.29
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.46
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.29

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

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 2 of 2 companies. For more detailed information, please visit ECHA C&L website.

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