CAS RN: 86031-17-6
Benzenemethanol, 4-hydroxy-2-nitro-
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260531 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS86031-17-6
- Purity/Analytical Methods: >99.0%
86031-17-6 / 4-(hydroxymethyl)-3-nitrophenol
Basic Information
CAS
86031-17-6
Multi CAS
No
Molecular Formula
C7H7NO4
Molecular Weight
169.130000
Exact Mass
169.037508
InChI
InChI=1S/C7H7NO4/c9-4-5-1-2-6(10)3-7(5)8(11)12/h1-3,9-10H,4H2
InChIKey
HNPPKJBKLPUPHI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
40.68
TPSA
83.6
LogP / Solubility
WLOGP
0.79
MLOGP
0.69
XLogP3
0.5
Consensus LogP
0.66
Log S (ESOL)
-1.63
Class (ESOL)
Soluble
Log S (Ali)
-1.52
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.66
Class (SILICOS-IT)
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)
-3.19
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
1.5
Customers Also Viewed
-
METHYL 2,3-DIHYDRO-1H-INDENE-4-CARBOXYLATE
- CAS RN: 86031-42-7
- Product Code: starshine_CAS86031-42-7
- Purity/Analytical method: >99.0%
-
1,4-diazaspiro[5.5]undecan-5-one(SALTDATA: FREE)
- CAS RN: 86047-86-1
- Product Code: starshine_CAS86047-86-1
- Purity/Analytical method: >99.0%
-
Gadopentetate dimeglumine
- CAS RN: 86050-77-3
- Product Code: starshine_CAS86050-77-3
- Purity/Analytical method: >99.0%
-
2-AMINO-2-(3,4,5-TRIMETHOXYPHENYL)ACETIC ACID HYDROCHLORIDE
- CAS RN: 86053-95-4
- Product Code: SSC-194857
-
-
![CAS 86047-86-1 1,4-diazaspiro[5.5]undecan-5-one(SALTDATA: FREE) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/86047-86-1.gif)
