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CAS 114745-26-5 5′-O-DMT-N2-Isobutyryl-2′-O-methyl-D-guanosine molecular structure lightbox
CAS RN: 114745-26-5

5′-O-DMT-N2-Isobutyryl-2′-O-methyl-D-guanosine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250220 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-014472
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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, 5g, 10g, 25g
  • 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 114745-26-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry
10g ＞97% 0 Out of Stock Hong Kong Inquiry
25g ＞97% 0 Out of Stock Hong Kong Inquiry

114745-26-5 / N-[9-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-3-methoxyoxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide

5'-O-DMT-N2-Isobutyryl-2'-O-methyl-D-guanosine | N-(9-((2R,3R,4R,5R)-5-((Bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-4-hydroxy-3-methoxytetrahydrofuran-2-yl)-6-oxo-6,9-dihydro-1H-purin-2-yl)isobutyramide | MFCD09842119

Standard CAS: 114745-26-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
114745-26-5
Multi CAS
Yes
Molecular Formula
C36H39N5O8
Molecular Weight
669.700000
Exact Mass
669.279863
SMILES
CC(C)C(=O)NC1=NC2=C(C(=O)N1)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)O)OC
InChI
InChI=1S/C36H39N5O8/c1-21(2)32(43)39-35-38-31-28(33(44)40-35)37-20-41(31)34-30(47-5)29(42)27(49-34)19-48-36(22-9-7-6-8-10-22,23-11-15-25(45-3)16-12-23)24-13-17-26(46-4)18-14-24/h6-18,20-21,27,29-30,34,42H,19H2,1-5H3,(H2,38,39,40,43,44)/t27-,29-,30-,34-/m1/s1
InChIKey
ISQLJOGRNUQHJX-WIFIACMTSA-N
Synonyms
5'-O-DMT-N2-Isobutyryl-2'-O-methyl-D-guanosine N-(9-((2R,3R,4R,5R)-5-((Bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-4-hydroxy-3-methoxytetrahydrofuran-2-yl)-6-oxo-6,9-dihydro-1H-purin-2-yl)isobutyramide MFCD09842119 5'-O-DMT-N2-isobutyryl-2'-O-methylguanosine 5'-DMT-2'-OMe-ibu-G

Computed Properties

Structural Parameters

Heavy atom count
49
Aromatic heavy atom count
27
Fraction Csp3
0.33
Rotatable bonds
12
H-bond acceptors
11
H-bond donors
3
Molar refractivity
180.59
TPSA
159.05

LogP / Solubility

WLOGP
4.01
MLOGP
3.59
XLogP3
4.5
Consensus LogP
4.03
Log S (ESOL)
-6.14
Class (ESOL)
Insoluble
Log S (Ali)
-7.95
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.78
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.96

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
7.5

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