![CAS 1860028-33-6 5-Benzenesulfonyl-5H-pyrrolo[3,2-d]pyrimidine-6-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1860028-33-6.gif)
CAS RN: 1860028-33-6
5-Benzenesulfonyl-5H-pyrrolo[3,2-d]pyrimidine-6-carboxylic 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.20260203 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-086174
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 | Shenzhen | Inquiry |
1860028-33-6 / 5-(benzenesulfonyl)pyrrolo[3,2-d]pyrimidine-6-carboxylic acid
Basic Information
CAS
1860028-33-6
Multi CAS
No
Molecular Formula
C13H9N3O4S
Molecular Weight
303.300000
Exact Mass
303.031377
SMILES
C1=CC=C(C=C1)S(=O)(=O)N2C(=CC3=NC=NC=C32)C(=O)O
InChI
InChI=1S/C13H9N3O4S/c17-13(18)11-6-10-12(7-14-8-15-10)16(11)21(19,20)9-4-2-1-3-5-9/h1-8H,(H,17,18)
InChIKey
GQPDVALGSGTSHY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
15
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
1
Molar refractivity
73.51
TPSA
102.15
LogP / Solubility
WLOGP
1.37
MLOGP
1.21
XLogP3
1.5
Consensus LogP
1.36
Log S (ESOL)
-2.91
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.03
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.13
Class (SILICOS-IT)
Poorly 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)
-3.6
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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