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CAS 80214-83-1 Roxithromycin molecular structure lightbox
CAS RN: 80214-83-1

Roxithromycin

  • Product code: SSC-189163
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 100g
  • Available purity: ≥98%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 80214-83-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥98% 0 Out of Stock Shenzhen Inquiry

80214-83-1 / 6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-10-(2-methoxyethoxymethoxyimino)-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one

Standard CAS: 80214-83-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
80214-83-1
Multi CAS
Yes
Molecular Formula
C41H76N2O15
Molecular Weight
837.000000
Exact Mass
836.524570
InChI
InChI=1S/C41H76N2O15/c1-15-29-41(10,49)34(45)24(4)31(42-53-21-52-17-16-50-13)22(2)19-39(8,48)36(58-38-32(44)28(43(11)12)18-23(3)54-38)25(5)33(26(6)37(47)56-29)57-30-20-40(9,51-14)35(46)27(7)55-30/h22-30,32-36,38,44-46,48-49H,15-21H2,1-14H3
InChIKey
RXZBMPWDPOLZGW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
58
Fraction Csp3
0.95
Rotatable bonds
13
H-bond acceptors
17
H-bond donors
5
Molar refractivity
212.47
TPSA
216.89

LogP / Solubility

WLOGP
2.21
MLOGP
2.02
XLogP3
3.1
Consensus LogP
2.44
Log S (ESOL)
-5.56
Class (ESOL)
Slightly soluble
Log S (Ali)
-8.02
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.49
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)
-6.26

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

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