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CAS 303-81-1 Novobiocin molecular structure lightbox
CAS RN: 303-81-1

Novobiocin

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251221 100mg In stock Shanghai Inquiry
Batchno.20250906 10mg In stock Shanghai Inquiry
Batchno.20250503 250mg In stock Shanghai Inquiry
Batchno.20250605 50mg In stock Shanghai Inquiry
Batchno.20250424 5mg In stock Shanghai Inquiry
  • Product code: SSC-134343
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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: 0.25g
  • Available purity: ≥95%
  • 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 303-81-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

303-81-1 / [(3R,4S,5R,6R)-5-hydroxy-6-[4-hydroxy-3-[[4-hydroxy-3-(3-methylbut-2-enyl)benzoyl]amino]-8-methyl-2-oxochromen-7-yl]oxy-3-methoxy-2,2-dimethyloxan-4-yl] carbamate

Standard CAS: 303-81-1 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
303-81-1
Multi CAS
Yes
Molecular Formula
C31H36N2O11
Molecular Weight
612.600000
Exact Mass
612.231910
InChI
InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/m1/s1
InChIKey
YJQPYGGHQPGBLI-KGSXXDOSSA-N

Physical Properties

Melting Point
152-156 °C (decomposes)
Density
1.3448 g/cu cm
Physical Description
Solid
Appearance
Pale yellow orthorhombic crystals from ethanol
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
44
Aromatic heavy atom count
16
Fraction Csp3
0.39
Rotatable bonds
8
H-bond acceptors
11
H-bond donors
5
Molar refractivity
158.92
TPSA
200.01

LogP / Solubility

WLOGP
3.63
MLOGP
3.24
XLogP3
3.3
Consensus LogP
3.39
Log S (ESOL)
-5.66
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.2
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.61
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.88

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
6.5

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