PDE I
TL;DR: PDE I (CAS 62497-62-5) is a chemical compound with molecular formula C13H13N3O5 and molecular weight 291.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-carbamoyl-5-hydroxy-4-methoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylic acid
Also Known As: PDE I, K 12 (phosphodiesterase inhibitor), K-12[phosphodiesterase inhibitor], Benzo(1,2-b:4,3-b')dipyrrole-2-carboxylic acid, 3,6,7,8-tetrahydro-6-(aminocarbonyl)-5-hydroxy-4-methoxy-, 6-carbamoyl-5-hydroxy-4-methoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylic acid
| Molecular Formula | C13H13N3O5 |
|---|---|
| Molecular Weight | 291.09 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 291.0855 |
| Heavy Atoms | 21 |
| Complexity | 459.0 |
Chemical Identifiers
| CAS Number | 62497-62-5 |
|---|---|
| SMILES | COC1=C2C(=C3CCN(C3=C1O)C(=O)N)C=C(N2)C(=O)O |
| InChIKey | TYNSUEXNGLNQSS-UHFFFAOYSA-N |
Product Overview
PDE I (CAS 62497-62-5), with molecular formula C13H13N3O5 and molecular weight 291.09 g/mol. IUPAC: 6-carbamoyl-5-hydroxy-4-methoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylic acid.
Chemical Property Profile of PDE I
Property Insights of PDE I
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for PDE I. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for PDE I. Following Lipinski's Rule of Five, PDE I has 4 hydrogen bond donor(s) and 5 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 PDE I?
The CAS number of PDE I is 62497-62-5.
What is the molecular formula of PDE I?
The molecular formula of PDE I is C13H13N3O5.
What is the molecular weight of PDE I?
The molecular weight of PDE I is 291.09 g/mol.
Where can I buy PDE I?
You can request a quote for PDE I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for PDE I?
Yes, KEHONG BIO provides custom synthesis services for PDE I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.