CAS RN: 436088-45-8
4-(5-FORMYL-FURAN-2-YL)-2-HYDROXY-BENZOIC ACID
- Product code: SSC-151744
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: 1g
- Available purity: ≥95%
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
436088-45-8 / 4-(5-formylfuran-2-yl)-2-hydroxybenzoic acid
Basic Information
CAS
436088-45-8
Multi CAS
Yes
Molecular Formula
C12H8O5
Molecular Weight
232.190000
Exact Mass
232.037173
InChI
InChI=1S/C12H8O5/c13-6-8-2-4-11(17-8)7-1-3-9(12(15)16)10(14)5-7/h1-6,14H,(H,15,16)
InChIKey
BKNVVYRQMKQLFC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
11
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
58.16
TPSA
87.74
LogP / Solubility
WLOGP
2.16
MLOGP
1.91
XLogP3
2.2
Consensus LogP
2.09
Log S (ESOL)
-2.92
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.03
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.32
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.6
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
-
![CAS 436088-64-1 2-AMINO-8-PHENYL-7,9-DIOXA-1-THIA-3-AZA-SPIRO[4.5]DEC-2-EN-4-ONE molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
2-AMINO-8-PHENYL-7,9-DIOXA-1-THIA-3-AZA-SPIRO[4.5]DEC-2-EN-4-ONE
- CAS RN: 436088-64-1
- Product Code: starshine_CAS436088-64-1
- Purity/Analytical method: >99.0%
-
2-AMINO-BENZOTHIAZOLE-6-CARBOXYLIC ACID 2-METHOXY-ETHYL ESTER
- CAS RN: 436088-66-3
- Product Code: starshine_CAS436088-66-3
- Purity/Analytical method: >99.0%
-
4-(2-CHLORO-ACETYL)-3,4-DIHYDRO-1H-QUINOXALIN-2-ONE
- CAS RN: 436088-67-4
- Product Code: SSC-151745
-
5-TERT-BUTYL-3-METHYL-FURAN-2-CARBOXYLIC ACID
- CAS RN: 436088-94-7
- Product Code: SSC-151746
-
(5-FURAN-2-YL-4-METHYL-4 H-[1,2,4]TRIAZOL-3-YLSULFANYL)-ACETIC ACID
- CAS RN: 436089-92-8
- Product Code: SSC-151748
-
![CAS 436088-64-1 2-AMINO-8-PHENYL-7,9-DIOXA-1-THIA-3-AZA-SPIRO[4.5]DEC-2-EN-4-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/436088-64-1.gif)
![CAS 436089-92-8 (5-FURAN-2-YL-4-METHYL-4 H-[1,2,4]TRIAZOL-3-YLSULFANYL)-ACETIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB6407229.gif)
