[email protected]
CAS 163921-65-1 AZITHROMYCIN-D3 molecular structure lightbox
CAS RN: 163921-65-1

AZITHROMYCIN-D3

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260630 1mg In stock Shanghai Inquiry
  • Product code: starshine_CAS163921-65-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

163921-65-1 / (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,8,10,12,14-hexamethyl-6-(trideuteriomethyl)-1-oxa-6-azacyclopentadecan-15-one

Standard CAS: 163921-65-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
163921-65-1
Multi CAS
No
Molecular Formula
C38H72N2O12
Molecular Weight
752.000000
Exact Mass
751.527356
SMILES
[2H]C([2H])([2H])N1C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O[C@@H]([C@@]([C@@H]([C@H]1C)O)(C)O)CC)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C
InChI
InChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3/t20-,21-,22+,23-,24-,25+,26+,27-,28+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1/i13D3
InChIKey
MQTOSJVFKKJCRP-DAANATKPSA-N

Computed Properties

Structural Parameters

Heavy atom count
52
Fraction Csp3
0.97
Rotatable bonds
7
H-bond acceptors
14
H-bond donors
5
Molar refractivity
194.18
TPSA
180.08

LogP / Solubility

WLOGP
1.9
MLOGP
1.74
XLogP3
4
Consensus LogP
2.55
Log S (ESOL)
-5.22
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.07
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.95
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)
-5.94

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us