Rigidin B
TL;DR: Rigidin B (CAS 499104-90-4) is a chemical compound with molecular formula C20H15N3O6 and molecular weight 393.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-hydroxy-3-methoxybenzoyl)-5-(4-hydroxyphenyl)-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione
Also Known As: Rigidin B, J1.884.155J, 6-(4-hydroxy-3-methoxybenzoyl)-5-(4-hydroxyphenyl)-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione, 6-(4-hydroxy-3-methoxybenzoyl)-5-(4-hydroxyphenyl)-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione, 1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione, 6-(4-hydroxy-3-methoxybenzoyl)-5-(4-hydroxyphenyl)-
| Molecular Formula | C20H15N3O6 |
|---|---|
| Molecular Weight | 393.10 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 393.0961 |
| Heavy Atoms | 29 |
| Complexity | 665.0 |
Chemical Identifiers
| CAS Number | 499104-90-4 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C(=O)C2=C(C3=C(N2)NC(=O)NC3=O)C4=CC=C(C=C4)O)O |
| InChIKey | PXAKFGAZHUXFTE-UHFFFAOYSA-N |
Product Overview
Rigidin B (CAS 499104-90-4), with molecular formula C20H15N3O6 and molecular weight 393.10 g/mol. IUPAC: 6-(4-hydroxy-3-methoxybenzoyl)-5-(4-hydroxyphenyl)-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione.
Chemical Property Profile of Rigidin B
Property Insights of Rigidin B
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Rigidin B. The TPSA of 141.0 Ų indicates high polarity, suggesting Rigidin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Rigidin B has 5 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Rigidin B?
The CAS number of Rigidin B is 499104-90-4.
What is the molecular formula of Rigidin B?
The molecular formula of Rigidin B is C20H15N3O6.
What is the molecular weight of Rigidin B?
The molecular weight of Rigidin B is 393.10 g/mol.
Where can I buy Rigidin B?
You can request a quote for Rigidin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rigidin B?
Yes, KEHONG BIO provides custom synthesis services for Rigidin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.