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CAS 1062243-51-9 RO3280 molecular structure lightbox
CAS RN: 1062243-51-9

RO3280

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5 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260131 100mg Out of stock Inquiry
Batchno.20251105 10mg In stock Shanghai Inquiry
Batchno.20260616 25mg Out of stock Inquiry
Batchno.20250211 50mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250204 1ml In stock Inquiry
  • Product code: SSC-007989
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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: 0.1g
  • 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 1062243-51-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry

1062243-51-9 / 4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide

Ro3280 | 4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide | 4-((9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-8H-pyrimido(4,5-b)(1,4)diazepin-2-yl)amino)-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide

Standard CAS: 1062243-51-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1062243-51-9
Multi CAS
No
Molecular Formula
C27H35F2N7O3
Molecular Weight
543.600000
Exact Mass
543.276944
SMILES
CN1CCC(CC1)NC(=O)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(CC(C(=O)N4C)(F)F)C5CCCC5)OC
InChI
InChI=1S/C27H35F2N7O3/c1-34-12-10-18(11-13-34)31-24(37)17-8-9-20(22(14-17)39-3)32-26-30-15-21-23(33-26)36(19-6-4-5-7-19)16-27(28,29)25(38)35(21)2/h8-9,14-15,18-19H,4-7,10-13,16H2,1-3H3,(H,31,37)(H,30,32,33)
InChIKey
DJNZZLZKAXGMMC-UHFFFAOYSA-N
Synonyms
Ro3280 4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide 4-((9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-8H-pyrimido(4,5-b)(1,4)diazepin-2-yl)amino)-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide RefChem:930847 Ro 3280

Computed Properties

Structural Parameters

Heavy atom count
39
Aromatic heavy atom count
12
Fraction Csp3
0.56
Rotatable bonds
6
H-bond acceptors
8
H-bond donors
2
Molar refractivity
144.25
TPSA
102.93

LogP / Solubility

WLOGP
3.41
MLOGP
3.05
XLogP3
3.5
Consensus LogP
3.32
Log S (ESOL)
-5.19
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.48
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.75
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.61

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5

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