CAS RN: 1613329-98-8
(5-Chloro-2-methyl-3-nitro-phenyl)-methanol
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.20250713 | 1g / 5g / 25g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-069022
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, 10g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
1613329-98-8 / (5-chloro-2-methyl-3-nitrophenyl)methanol
Basic Information
CAS
1613329-98-8
Multi CAS
No
Molecular Formula
C8H8ClNO3
Molecular Weight
201.610000
Exact Mass
201.019271
SMILES
CC1=C(C=C(C=C1[N+](=O)[O-])Cl)CO
InChI
InChI=1S/C8H8ClNO3/c1-5-6(4-11)2-7(9)3-8(5)10(12)13/h2-3,11H,4H2,1H3
InChIKey
IHPWWVPOLYUYMG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
48.77
TPSA
63.37
LogP / Solubility
WLOGP
2.05
MLOGP
1.8
XLogP3
1.9
Consensus LogP
1.92
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.69
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.91
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.5
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
Customers Also Viewed
-
3-(difluoromethyl)cyclobutane-1-carboxylic acid
- CAS RN: 1613330-49-6
- Product Code: SSC-069023
-
cyclobutanecarboxylic acid, 3-fluoro-3-methyl-
- CAS RN: 1613330-60-1
- Product Code: SSC-069025
-
-
2,4-Imidazolidinedione, 1-(4-bromo-3,5-dimethylphenyl)-5,5-dimethyl-
- CAS RN: 1613373-40-2
- Product Code: SSC-069028
-
1,4,7,10-Tetraazacyclododecane-1,4,7-triacetic acid, 10-[2-[[2-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)ethyl]amino]-2-oxoethyl]-, 1,4,7-tris(1,1-dimethylethyl) ester
- CAS RN: 1613382-10-7
- Product Code: SSC-069029
-
Benzo[1,2-b:4,5-b’]dithiophene, 4,8-bis[5-[(2-ethylhexyl)thio]-2-thienyl]-
- CAS RN: 1613389-28-8
- Product Code: starshine_CAS1613389-28-8
- Purity/Analytical method: >99.0%
![CAS 1613382-10-7 1,4,7,10-Tetraazacyclododecane-1,4,7-triacetic acid, 10-[2-[[2-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)ethyl]amino]-2-oxoethyl]-, 1,4,7-tris(1,1-dimethylethyl) ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1613382-10-7.gif)
![CAS 1613389-28-8 Benzo[1,2-b:4,5-b’]dithiophene, 4,8-bis[5-[(2-ethylhexyl)thio]-2-thienyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1613389-28-8.gif)