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CAS 13553-79-2 Rifamycin S molecular structure lightbox
CAS RN: 13553-79-2

Rifamycin S

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250113 200mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Hebei, Shandong, Chongqing Inquiry
  • Product code: SSC-044054
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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: 25g
  • Available purity: ＞97%
  • 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 13553-79-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Hong Kong Inquiry

13553-79-2 / [(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25-heptaen-13-yl] acetate

Standard CAS: 13553-79-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
13553-79-2
Multi CAS
No
Molecular Formula
C37H45NO12
Molecular Weight
695.800000
Exact Mass
695.294176
SMILES
C[C@H]1/C=C/C=C(\C(=O)NC2=CC(=O)C3=C(C2=O)C(=C(C4=C3C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)/C
InChI
InChI=1S/C37H45NO12/c1-16-11-10-12-17(2)36(46)38-23-15-24(40)26-27(32(23)44)31(43)21(6)34-28(26)35(45)37(8,50-34)48-14-13-25(47-9)18(3)33(49-22(7)39)20(5)30(42)19(4)29(16)41/h10-16,18-20,25,29-30,33,41-43H,1-9H3,(H,38,46)/b11-10+,14-13+,17-12-/t16-,18+,19+,20+,25-,29-,30+,33+,37-/m0/s1
InChIKey
BTVYFIMKUHNOBZ-ODRIEIDWSA-N

Computed Properties

Structural Parameters

Heavy atom count
50
Aromatic heavy atom count
6
Fraction Csp3
0.49
Rotatable bonds
2
H-bond acceptors
12
H-bond donors
4
Molar refractivity
179.24
TPSA
194.99

LogP / Solubility

WLOGP
3.63
MLOGP
3.25
XLogP3
4.1
Consensus LogP
3.66
Log S (ESOL)
-6.4
Class (ESOL)
Insoluble
Log S (Ali)
-7.89
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.44
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)
-4.39

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
10

Safety & Transport

Pictogram(s)
Irritant Health Hazard Environmental Hazard
Signal
Warning
GHS Hazard Statements
H302 (40%): Harmful if swallowed [Warning Acute toxicity, oral] H371 (60%): May cause damage to organs [Warning Specific target organ toxicity, single exposure] H400 (40%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (40%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P260, P264, P270, P273, P301+P317, P308+P316, P330, P391, P405, and P501

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