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CAS 302841-89-0 Ro 67-4853 molecular structure lightbox
CAS RN: 302841-89-0

Ro 67-4853

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251022 100mg In stock Shanghai Inquiry
Batchno.20250929 1g Out of stock Inquiry
Batchno.20250407 250mg In stock Shanghai Inquiry
Batchno.20260411 25mg In stock Shanghai Inquiry
Batchno.20260607 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS302841-89-0
  • Purity/Analytical Methods: >99.0%
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302841-89-0 / butyl N-(9H-xanthene-9-carbonyl)carbamate

Standard CAS: 302841-89-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
302841-89-0
Multi CAS
No
Molecular Formula
C19H19NO4
Molecular Weight
325.400000
Exact Mass
325.131408
InChI
InChI=1S/C19H19NO4/c1-2-3-12-23-19(22)20-18(21)17-13-8-4-6-10-15(13)24-16-11-7-5-9-14(16)17/h4-11,17H,2-3,12H2,1H3,(H,20,21,22)
InChIKey
RQBUXEUMZZQUFY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.26
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
89.2
TPSA
64.63

LogP / Solubility

WLOGP
3.98
MLOGP
3.51
XLogP3
3.4
Consensus LogP
3.63
Log S (ESOL)
-4.47
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.1
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.56
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.88

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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