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CAS 63660-21-9 5′-DMT-5-BROMO-DU PHOSPHORAMIDITE (CHIRAL) molecular structure lightbox
CAS RN: 63660-21-9

5′-DMT-5-BROMO-DU PHOSPHORAMIDITE (CHIRAL)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251017 25mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS63660-21-9
  • Purity/Analytical Methods: >99.0%
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63660-21-9 / 1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-5-bromopyrimidine-2,4-dione

Standard CAS: 63660-21-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
63660-21-9
Multi CAS
Yes
Molecular Formula
BC30H29O7Rn2
Molecular Weight
609.500000
Exact Mass
608.115810
InChI
InChI=1S/C30H29BrN2O7/c1-37-22-12-8-20(9-13-22)30(19-6-4-3-5-7-19,21-10-14-23(38-2)15-11-21)39-18-26-25(34)16-27(40-26)33-17-24(31)28(35)32-29(33)36/h3-15,17,25-27,34H,16,18H2,1-2H3,(H,32,35,36)/t25-,26+,27+/m0/s1
InChIKey
VEKIRSULPTVJLM-OYUWMTPXSA-N

Computed Properties

Structural Parameters

Heavy atom count
40
Aromatic heavy atom count
24
Fraction Csp3
0.27
Rotatable bonds
9
H-bond acceptors
8
H-bond donors
2
Molar refractivity
151.82
TPSA
112.01

LogP / Solubility

WLOGP
3.97
MLOGP
3.55
XLogP3
4.3
Consensus LogP
3.94
Log S (ESOL)
-5.97
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.43
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.62

Drug-likeness / Medicinal Chemistry

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

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