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CAS 104579-03-5 5′-O-(4,4′-DIMETHOXYTRITYL)-N4-BENZOYL-5-METHYL-2′-DEOXYCYTIDINE molecular structure lightbox
CAS RN: 104579-03-5

5′-O-(4,4′-DIMETHOXYTRITYL)-N4-BENZOYL-5-METHYL-2′-DEOXYCYTIDINE

Product Availability

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7 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260512 1g In stock Shandong Inquiry
Batchno.20260123 25g Out of stock 15 business days Inquiry
Batchno.20260226 5g In stock Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250214 1g In stock Shanghai, Tianjin Inquiry
Batchno.20250214 250mg In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20260626 25g In stock Shanghai Inquiry
Batchno.20251125 5g In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-006342
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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 104579-03-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

104579-03-5 / N-[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide

DTXSID401143394 | RefChem:1091548 | DTXCID001574999

Standard CAS: 104579-03-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
104579-03-5
Multi CAS
Yes
Molecular Formula
C38H37N3O7
Molecular Weight
647.700000
Exact Mass
647.263151
SMILES
CC1=CN(C(=O)N=C1NC(=O)C2=CC=CC=C2)[C@H]3C[C@@H]([C@H](O3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)O
InChI
InChI=1S/C38H37N3O7/c1-25-23-41(37(44)40-35(25)39-36(43)26-10-6-4-7-11-26)34-22-32(42)33(48-34)24-47-38(27-12-8-5-9-13-27,28-14-18-30(45-2)19-15-28)29-16-20-31(46-3)21-17-29/h4-21,23,32-34,42H,22,24H2,1-3H3,(H,39,40,43,44)/t32-,33+,34+/m0/s1
InChIKey
YWHPQMVQHSPNRU-LBFZIJHGSA-N
Synonyms
DTXSID401143394 RefChem:1091548 DTXCID001574999 N-Benzoyl-5'-O-(bis(4-methoxyphenyl)phenylmethyl)-2'-deoxy-5-methylcytidine 5'-O-(4,4'-DIMETHOXYTRITYL)-N4-BENZOYL-5-METHYL-2'-DEOXYCYTIDINE

Computed Properties

Structural Parameters

Heavy atom count
48
Aromatic heavy atom count
30
Fraction Csp3
0.24
Rotatable bonds
11
H-bond acceptors
9
H-bond donors
2
Molar refractivity
180.43
TPSA
121.14

LogP / Solubility

WLOGP
5.48
MLOGP
4.87
XLogP3
5.6
Consensus LogP
5.32
Log S (ESOL)
-7.04
Class (ESOL)
Insoluble
Log S (Ali)
-8.83
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.74
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)
-2.78

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7

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