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CAS 110764-72-2 N6-BENZOYL-5′-(DIMETHOXYTRITYL)-2′-O-METHYLADENOSINE molecular structure lightbox
CAS RN: 110764-72-2

N6-BENZOYL-5′-(DIMETHOXYTRITYL)-2′-O-METHYLADENOSINE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250410 100mg / 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-011720
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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: 0.25g, 1g, 5g, 10g
  • 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 110764-72-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Shenzhen Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry
10g ＞97% 0 Out of Stock Shanghai Inquiry

110764-72-2 / N-[9-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-3-methoxyoxolan-2-yl]purin-6-yl]benzamide

N-(9-((2R,3R,4R,5R)-5-((Bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-4-hydroxy-3-methoxytetrahydrofuran-2-yl)-9H-purin-6-yl)benzamide | N6-BENZOYL-5'-(DIMETHOXYTRITYL)-2'-O-METHYLADENOSINE | MFCD08704196

Standard CAS: 110764-72-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
110764-72-2
Multi CAS
Yes
Molecular Formula
C39H37N5O7
Molecular Weight
687.700000
Exact Mass
687.269299
SMILES
CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)NC(=O)C4=CC=CC=C4)COC(C5=CC=CC=C5)(C6=CC=C(C=C6)OC)C7=CC=C(C=C7)OC)O
InChI
InChI=1S/C39H37N5O7/c1-47-29-18-14-27(15-19-29)39(26-12-8-5-9-13-26,28-16-20-30(48-2)21-17-28)50-22-31-33(45)34(49-3)38(51-31)44-24-42-32-35(40-23-41-36(32)44)43-37(46)25-10-6-4-7-11-25/h4-21,23-24,31,33-34,38,45H,22H2,1-3H3,(H,40,41,43,46)/t31-,33-,34-,38-/m1/s1
InChIKey
SARHDAQOZNKZCC-CJEGOSRCSA-N
Synonyms
N-(9-((2R,3R,4R,5R)-5-((Bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-4-hydroxy-3-methoxytetrahydrofuran-2-yl)-9H-purin-6-yl)benzamide N6-BENZOYL-5'-(DIMETHOXYTRITYL)-2'-O-METHYLADENOSINE MFCD08704196 5'-DMT-2'-OMe-Bz-A N-Benzoyl-5'-O-[bis(4-methoxyphenyl)-phenylmethyl]-2'-O-methyl-adenosine

Computed Properties

Structural Parameters

Heavy atom count
51
Aromatic heavy atom count
33
Fraction Csp3
0.23
Rotatable bonds
12
H-bond acceptors
11
H-bond donors
2
Molar refractivity
188.7
TPSA
139.08

LogP / Solubility

WLOGP
5.38
MLOGP
4.79
XLogP3
5
Consensus LogP
5.06
Log S (ESOL)
-7.18
Class (ESOL)
Insoluble
Log S (Ali)
-9.08
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.03
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)
-3.1

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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