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CAS 201677-59-0 (R)-N-(2-(Benzyloxy)-5-(2-bromo-1-hydroxyethyl)phenyl)formamide molecular structure lightbox
CAS RN: 201677-59-0

(R)-N-(2-(Benzyloxy)-5-(2-bromo-1-hydroxyethyl)phenyl)formamide

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250219 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-095082
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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
  • 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 201677-59-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

201677-59-0 / N-[5-[(1R)-2-bromo-1-hydroxyethyl]-2-phenylmethoxyphenyl]formamide

Standard CAS: 201677-59-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
201677-59-0
Multi CAS
No
Molecular Formula
C16H16BrNO3
Molecular Weight
350.210000
Exact Mass
349.031360
SMILES
C1=CC=C(C=C1)COC2=C(C=C(C=C2)[C@H](CBr)O)NC=O
InChI
InChI=1S/C16H16BrNO3/c17-9-15(20)13-6-7-16(14(8-13)18-11-19)21-10-12-4-2-1-3-5-12/h1-8,11,15,20H,9-10H2,(H,18,19)/t15-/m0/s1
InChIKey
HKSUZIIGCSOMPX-HNNXBMFYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.19
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
2
Molar refractivity
85.66
TPSA
58.56

LogP / Solubility

WLOGP
3.26
MLOGP
2.89
XLogP3
2.5
Consensus LogP
2.88
Log S (ESOL)
-4.03
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.79
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.48
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.54

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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