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CAS 923036-30-0 7H-Pyrrolo[2,3-d]pyriMidin-4-aMine, N-Methyl-N-[(3R,4R)-4-Methyl-1-(phenylMethyl)-3-piperidinyl]-7-[(4-Met hylphenyl)sulfonyl]- molecular structure lightbox
CAS RN: 923036-30-0

7H-Pyrrolo[2,3-d]pyriMidin-4-aMine, N-Methyl-N-[(3R,4R)-4-Methyl-1-(phenylMethyl)-3-piperidinyl]-7-[(4-Met hylphenyl)sulfonyl]-

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250311 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-205882
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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: 1g
  • 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 923036-30-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

923036-30-0 / N-[(3R,4R)-1-benzyl-4-methylpiperidin-3-yl]-N-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine

Standard CAS: 923036-30-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
923036-30-0
Multi CAS
Yes
Molecular Formula
C27H31N5O2S
Molecular Weight
489.600000
Exact Mass
489.219846
InChI
InChI=1S/C27H31N5O2S/c1-20-9-11-23(12-10-20)35(33,34)32-16-14-24-26(28-19-29-27(24)32)30(3)25-18-31(15-13-21(25)2)17-22-7-5-4-6-8-22/h4-12,14,16,19,21,25H,13,15,17-18H2,1-3H3/t21-,25+/m1/s1
InChIKey
GWMBPMUFLFJILW-BWKNWUBXSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
21
Fraction Csp3
0.33
Rotatable bonds
6
H-bond acceptors
7
Molar refractivity
138.98
TPSA
71.33

LogP / Solubility

WLOGP
4.32
MLOGP
3.84
XLogP3
5.2
Consensus LogP
4.45
Log S (ESOL)
-5.65
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.7
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.15
Class (SILICOS-IT)
Insoluble

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
Yes
Log Kp (skin permeation)
-2.64

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5

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