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CAS 889877-77-4 (R)-2-chloro-7-ethyl-8-isopropyl-7,8-dihydropteridin-6(5H)-one molecular structure lightbox
CAS RN: 889877-77-4

(R)-2-chloro-7-ethyl-8-isopropyl-7,8-dihydropteridin-6(5H)-one

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250514 250mg In stock Shanghai Inquiry
  • Product code: SSC-200715
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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 889877-77-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

889877-77-4 / (7R)-2-chloro-7-ethyl-8-propan-2-yl-5,7-dihydropteridin-6-one

Standard CAS: 889877-77-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
889877-77-4
Multi CAS
Yes
Molecular Formula
C11H15CLN4O
Molecular Weight
254.710000
Exact Mass
254.093439
InChI
InChI=1S/C11H15ClN4O/c1-4-8-10(17)14-7-5-13-11(12)15-9(7)16(8)6(2)3/h5-6,8H,4H2,1-3H3,(H,14,17)/t8-/m1/s1
InChIKey
HZKCDOWKVNPXCW-MRVPVSSYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.55
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
67.37
TPSA
58.12

LogP / Solubility

WLOGP
2.08
MLOGP
1.83
XLogP3
2.3
Consensus LogP
2.07
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.15
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.28
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.8

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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