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CAS 307974-61-4 AZITHROMYCIN IMPURITY B molecular structure lightbox
CAS RN: 307974-61-4

AZITHROMYCIN IMPURITY B

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260627 1mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS307974-61-4
  • Purity/Analytical Methods: >99.0%
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307974-61-4 / 11-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-4,10-dihydroxy-13-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one

Standard CAS: 307974-61-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
307974-61-4
Multi CAS
Yes
Molecular Formula
C38H72N2O11
Molecular Weight
733.000000
Exact Mass
732.513611
InChI
InChI=1S/C38H72N2O11/c1-15-28-22(4)30(41)25(7)40(13)19-20(2)17-37(9,45)34(51-36-31(42)27(39(11)12)16-21(3)47-36)23(5)32(24(6)35(44)49-28)50-29-18-38(10,46-14)33(43)26(8)48-29/h20-34,36,41-43,45H,15-19H2,1-14H3/t20-,21-,22+,23+,24-,25-,26+,27+,28-,29+,30+,31-,32+,33+,34-,36+,37-,38-/m1/s1
InChIKey
JBYIGHZCRVMHAK-VINPOOLWSA-N

Computed Properties

Structural Parameters

Heavy atom count
51
Fraction Csp3
0.97
Rotatable bonds
7
H-bond acceptors
13
H-bond donors
4
Molar refractivity
192.72
TPSA
159.85

LogP / Solubility

WLOGP
2.79
MLOGP
2.52
XLogP3
5.2
Consensus LogP
3.5
Log S (ESOL)
-5.68
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.58
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.58
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
Yes
Log Kp (skin permeation)
-5.21

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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