Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 0.25g, 5g, 10g, 0.1g, 100g, 25g
- Available purity: ≥95%
- Inventory rows with stock: 6
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 5 In Stock | Hong Kong | Inquiry |
| 0.25g | ≥95% | 3 In Stock | Beijing | Inquiry |
| 5g | ≥95% | 3 In Stock | Shenzhen | Inquiry |
| 10g | ≥95% | 3 In Stock | Shenzhen | Inquiry |
| 0.1g | ≥95% | 1 In Stock | Beijing | Inquiry |
| 100g | ≥95% | 1 In Stock | Hong Kong | Inquiry |
| 25g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
77977-73-2 / (2S)-2-hydroxy-2-(4-nitrophenyl)acetic acid
Basic Information
CAS
77977-73-2
Multi CAS
Yes
Molecular Formula
C8H7NO5
Molecular Weight
197.140000
Exact Mass
197.032422
InChI
InChI=1S/C8H7NO5/c10-7(8(11)12)5-1-3-6(4-2-5)9(13)14/h1-4,7,10H,(H,11,12)/t7-/m1/s1
InChIKey
ZSMJZVLXJDNZHG-SSDOTTSWSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
45.69
TPSA
100.67
LogP / Solubility
WLOGP
0.71
MLOGP
0.63
XLogP3
0.4
Consensus LogP
0.58
Log S (ESOL)
-1.63
Class (ESOL)
Soluble
Log S (Ali)
-1.69
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.89
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)
-3.42
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
2
Customers Also Viewed
-
![CAS 77978-73-5 2-[4-(METHOXYCARBONYL)-5-METHYL-2-OXO-2,3-DIHYDRO-1H-PYRROL-3-YL]ACETIC ACID molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
2-[4-(METHOXYCARBONYL)-5-METHYL-2-OXO-2,3-DIHYDRO-1H-PYRROL-3-YL]ACETIC ACID
- CAS RN: 77978-73-5
- Product Code: SSC-187523
-
2-(2-chlorophenyl)-4,6-diphenyl-1,3,5-triazine
- CAS RN: 77989-14-1
- Product Code: SSC-187527
-
-
4(1H)-Pyrimidinone, 2,5-diamino- (9CI)
- CAS RN: 77994-12-8
- Product Code: starshine_CAS77994-12-8
- Purity/Analytical method: >99.0%
-
4-HYDRAZINO-2,5,6-TRIMETHYLTHIENO[2,3-D]PYRIMIDINE
- CAS RN: 77995-55-2
- Product Code: starshine_CAS77995-55-2
- Purity/Analytical method: >99.0%
-
Mulberrofuran C
- CAS RN: 77996-04-4
- Product Code: starshine_CAS77996-04-4
- Purity/Analytical method: >99.0%
![CAS 77978-73-5 2-[4-(METHOXYCARBONYL)-5-METHYL-2-OXO-2,3-DIHYDRO-1H-PYRROL-3-YL]ACETIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/77978-73-5.gif)
![CAS 77995-55-2 4-HYDRAZINO-2,5,6-TRIMETHYLTHIENO[2,3-D]PYRIMIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/77995-55-2.gif)
