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CAS 100898-63-3 N-(1-((2R,4S,5R)-5-((Bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-4-hydroxytetrahydrofuran-2-yl)-2-oxo-1,2-dihydropyrimidin-4-yl)acetamide molecular structure lightbox
CAS RN: 100898-63-3

N-(1-((2R,4S,5R)-5-((Bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-4-hydroxytetrahydrofuran-2-yl)-2-oxo-1,2-dihydropyrimidin-4-yl)acetamide

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250710 5g / 25g / 100g Out of stock 8-10 business days Inquiry
  • Product code: SSC-001631
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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: 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 100898-63-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shanghai Inquiry

100898-63-3 / N-[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide

DMT-N4-Acetyl-2'-Deoxycytidine | RefChem:590001 | 691-405-7

Standard CAS: 100898-63-3 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
100898-63-3
Multi CAS
Yes
Molecular Formula
C32H33N3O7
Molecular Weight
571.600000
Exact Mass
571.231850
SMILES
CC(=O)NC1=NC(=O)N(C=C1)[C@H]2C[C@@H]([C@H](O2)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)O
InChI
InChI=1S/C32H33N3O7/c1-21(36)33-29-17-18-35(31(38)34-29)30-19-27(37)28(42-30)20-41-32(22-7-5-4-6-8-22,23-9-13-25(39-2)14-10-23)24-11-15-26(40-3)16-12-24/h4-18,27-28,30,37H,19-20H2,1-3H3,(H,33,34,36,38)/t27-,28+,30+/m0/s1
InChIKey
FHZQVUQHQIUSPM-PKZQBKLLSA-N
Synonyms
DMT-N4-Acetyl-2'-Deoxycytidine RefChem:590001 691-405-7 5'-O-DMT-N4-Ac-dC 5'-O-(4,4'-DIMETHOXYTRITYL)-N4-ACETYL-2'-DEOXYCYTIDINE

Computed Properties

Structural Parameters

Heavy atom count
42
Aromatic heavy atom count
24
Fraction Csp3
0.28
Rotatable bonds
10
H-bond acceptors
9
H-bond donors
2
Molar refractivity
155.6
TPSA
121.14

LogP / Solubility

WLOGP
3.88
MLOGP
3.46
XLogP3
3.6
Consensus LogP
3.65
Log S (ESOL)
-5.59
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.05
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.79
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)
-3.45

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6.5

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

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