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CAS 102212-98-6 DMT-dC(bz) Phosphoramidite molecular structure lightbox
CAS RN: 102212-98-6

DMT-dC(bz) Phosphoramidite

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260621 1g In stock Inquiry
Batchno.20251213 25g In stock Inquiry
Batchno.20250502 5g In stock Inquiry
  • Product code: SSC-003496
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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: 5g
  • 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 102212-98-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

102212-98-6 / N-[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide

Cytidine, N-benzoyl-5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-deoxy-, 3'-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite] | Cytidine, N-benzoyl-5'-O-(bis(4-methoxyphenyl)phenylmethyl)-2'-deoxy-, 3'-(2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite) | RefChem:581429

Standard CAS: 102212-98-6 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
102212-98-6
Multi CAS
Yes
Molecular Formula
C46H52N5O8P
Molecular Weight
833.900000
Exact Mass
833.355351
SMILES
CC(C)N(C(C)C)P(OCCC#N)O[C@H]1C[C@@H](O[C@@H]1COC(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)N5C=CC(=NC5=O)NC(=O)C6=CC=CC=C6
InChI
InChI=1S/C46H52N5O8P/c1-32(2)51(33(3)4)60(57-29-13-27-47)59-40-30-43(50-28-26-42(49-45(50)53)48-44(52)34-14-9-7-10-15-34)58-41(40)31-56-46(35-16-11-8-12-17-35,36-18-22-38(54-5)23-19-36)37-20-24-39(55-6)25-21-37/h7-12,14-26,28,32-33,40-41,43H,13,29-31H2,1-6H3,(H,48,49,52,53)/t40-,41+,43+,60?/m0/s1
InChIKey
PGTNFMKLGRFZDX-SALLYJDFSA-N
Synonyms
Cytidine, N-benzoyl-5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-deoxy-, 3'-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite] Cytidine, N-benzoyl-5'-O-(bis(4-methoxyphenyl)phenylmethyl)-2'-deoxy-, 3'-(2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite) RefChem:581429 DMT-dC(bz) Phosphoramidite Bz-dC Phosphoramidite

Computed Properties

Structural Parameters

Heavy atom count
60
Aromatic heavy atom count
30
Fraction Csp3
0.35
Rotatable bonds
19
H-bond acceptors
12
H-bond donors
1
Molar refractivity
229.77
TPSA
146.4

LogP / Solubility

WLOGP
8.47
MLOGP
7.53
XLogP3
7.3
Consensus LogP
7.77
Log S (ESOL)
-9.46
Class (ESOL)
Insoluble
Log S (Ali)
-12.51
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.39
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)
-1.79

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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