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CAS 330628-04-1 N4-(DIMETHYLAMINO)METHYLENE)-5′-O-(DIMETHOXYTRITYL)-2′-DEOXYGUANOSINE-3′-N,N-DIISOPROPYL (CYANOETHYL) PHOSPHORAMIDITE molecular structure lightbox
CAS RN: 330628-04-1

N4-(DIMETHYLAMINO)METHYLENE)-5′-O-(DIMETHOXYTRITYL)-2′-DEOXYGUANOSINE-3′-N,N-DIISOPROPYL (CYANOETHYL) PHOSPHORAMIDITE

Product Availability

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7 package records7 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250901 100g In stock Shanghai Inquiry
Batchno.20260117 1g In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20250209 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
Batchno.20250719 1kg In stock Shanghai Inquiry
Batchno.20251209 25g In stock Shanghai, Chengdu Inquiry
Batchno.20250616 500g In stock Shanghai Inquiry
Batchno.20250417 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
  • Product code: SSC-138898
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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: ≥98%
  • 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 330628-04-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Shanghai Inquiry

330628-04-1 / N'-[9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]-6-oxo-5H-purin-2-yl]-N,N-dimethylmethanimidamide

Standard CAS: 330628-04-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
330628-04-1
Multi CAS
Yes
Molecular Formula
C43H53N8O7P
Molecular Weight
824.900000
Exact Mass
824.377483
InChI
InChI=1S/C43H53N8O7P/c1-29(2)51(30(3)4)59(56-24-12-23-44)58-36-25-38(50-28-45-39-40(50)47-42(48-41(39)52)46-27-49(5)6)57-37(36)26-55-43(31-13-10-9-11-14-31,32-15-19-34(53-7)20-16-32)33-17-21-35(54-8)22-18-33/h9-11,13-22,27-30,36-38H,12,24-26H2,1-8H3,(H,47,48,52)/b46-27+/t36-,37+,38+,59?/m0/s1
InChIKey
YRQAXTCBMPFGAN-UNHDIWNRSA-N

Computed Properties

Structural Parameters

Heavy atom count
59
Aromatic heavy atom count
18
Fraction Csp3
0.44
Rotatable bonds
18
H-bond acceptors
13
Molar refractivity
227.8
TPSA
155.4

LogP / Solubility

WLOGP
6.39
MLOGP
5.69
XLogP3
5.3
Consensus LogP
5.79
Log S (ESOL)
-8.02
Class (ESOL)
Insoluble
Log S (Ali)
-10.93
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.48
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-3.22

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
8

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