CAS RN: 1025746-82-0
3-(CYCLOPROPYLMETHYL)THIOPHENYLBORONIC ACID
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.20250812 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: SSC-003849
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
1025746-82-0 / [3-(cyclopropylmethylsulfanyl)phenyl]boronic acid
3-(Cyclopropylmethyl)thiophenylboronic acid | (3-((Cyclopropylmethyl)thio)phenyl)boronic acid | MFCD09025757
Basic Information
CAS
1025746-82-0
Multi CAS
Yes
Molecular Formula
C10H13BO2S
Molecular Weight
208.090000
Exact Mass
208.072931
SMILES
B(C1=CC(=CC=C1)SCC2CC2)(O)O
InChI
InChI=1S/C10H13BO2S/c12-11(13)9-2-1-3-10(6-9)14-7-8-4-5-8/h1-3,6,8,12-13H,4-5,7H2
InChIKey
MKUPUWRGZDJOQK-UHFFFAOYSA-N
Synonyms
3-(Cyclopropylmethyl)thiophenylboronic acid
(3-((Cyclopropylmethyl)thio)phenyl)boronic acid
MFCD09025757
[3-(cyclopropylmethylsulfanyl)phenyl]boronic acid
Boronic acid, B-[3-[(cyclopropylmethyl)thio]phenyl]-
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
59.72
TPSA
40.46
LogP / Solubility
WLOGP
0.87
MLOGP
0.77
XLogP3
0.87
Consensus LogP
0.84
Log S (ESOL)
-1.73
Class (ESOL)
Soluble
Log S (Ali)
-1.89
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.21
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)
-3.37
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
-
(9S,13S)-Tri-Tert-Butyl 3,11-Dioxo-1-Phenyl-2-Oxa-4,10,12-Triazapentadecane-9,13,15-Tricarboxylate
- CAS RN: 1025796-30-8
- Product Code: starshine_CAS1025796-30-8
- Purity/Analytical method: >99.0%
-
(S)-Di-Tert-Butyl 2-(3-((S)-6-Amino-1-(Tert-Butoxy)-1-Oxohexan-2-Yl)Ureido)Pentanedioate
- CAS RN: 1025796-31-9
- Product Code: SSC-003854
-
(S,S)-2-[3-(5-amino-1-carboxy-pentyl)-ureido]-pentanedioic acid
- CAS RN: 1025796-32-0
- Product Code: SSC-003855
-
GSK-626616
- CAS RN: 1025821-33-3
- Product Code: starshine_CAS1025821-33-3
- Purity/Analytical method: >99.0%
-
-
2-AMINO-5-(2-FLUOROPHENYL)-THIAZOLE
- CAS RN: 1025927-65-4
- Product Code: starshine_CAS1025927-65-4
- Purity/Analytical method: >99.0%
![CAS 1025796-32-0 (S,S)-2-[3-(5-amino-1-carboxy-pentyl)-ureido]-pentanedioic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1025796-32-0.gif)
