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CAS 70785-61-4 (R)-2-(4-Hydroxy-6-methylnicotinamido)-2-(4-hydroxyphenyl)acetic acid molecular structure lightbox
CAS RN: 70785-61-4

(R)-2-(4-Hydroxy-6-methylnicotinamido)-2-(4-hydroxyphenyl)acetic acid

  • Product code: SSC-180510
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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: 25g
  • 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 70785-61-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Hong Kong Inquiry

70785-61-4 / (2R)-2-(4-hydroxyphenyl)-2-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]acetic acid

Standard CAS: 70785-61-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
70785-61-4
Multi CAS
Yes
Molecular Formula
C15H14N2O5
Molecular Weight
302.280000
Exact Mass
302.090272
InChI
InChI=1S/C15H14N2O5/c1-8-6-12(19)11(7-16-8)14(20)17-13(15(21)22)9-2-4-10(18)5-3-9/h2-7,13,18H,1H3,(H,16,19)(H,17,20)(H,21,22)/t13-/m1/s1
InChIKey
UNZMURWBBRKTNN-CYBMUJFWSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
4
Molar refractivity
77.75
TPSA
119.49

LogP / Solubility

WLOGP
0.94
MLOGP
0.84
XLogP3
1.5
Consensus LogP
1.09
Log S (ESOL)
-2.45
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.72
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.89
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)
-3.89

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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