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CAS 308815-81-8 Methyl 2-[4-(Hydroxymethyl)-2-nitrophenoxy]acetate molecular structure lightbox
CAS RN: 308815-81-8

Methyl 2-[4-(Hydroxymethyl)-2-nitrophenoxy]acetate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250303 100mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: ICTH1049
  • Purity/Analytical Methods: >98.0%(GC)
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308815-81-8 / methyl 2-[4-(hydroxymethyl)-2-nitrophenoxy]acetate

Standard CAS: 308815-81-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
308815-81-8
Multi CAS
No
Molecular Formula
C10H11NO6
Molecular Weight
241.200000
Exact Mass
241.058637
InChI
InChI=1S/C10H11NO6/c1-16-10(13)6-17-9-3-2-7(5-12)4-8(9)11(14)15/h2-4,12H,5-6H2,1H3
InChIKey
HNFVHTJFCGBTSS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
1
Molar refractivity
56.53
TPSA
98.9

LogP / Solubility

WLOGP
0.64
MLOGP
0.57
XLogP3
0.8
Consensus LogP
0.67
Log S (ESOL)
-1.67
Class (ESOL)
Soluble
Log S (Ali)
-2
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.36
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.74

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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