PENTALENOPYRAN-5-CARBOXYLIC ACID DERIV
TL;DR: PENTALENOPYRAN-5-CARBOXYLIC ACID DERIV (CAS 7145-00-8) is a chemical compound with molecular formula C15H16O4 and molecular weight 260.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,8-dimethyl-1-methylidene-2-oxo-4,4a,6a,7-tetrahydropentaleno[1,6a-c]pyran-5-carboxylic acid
Also Known As: PENTALENOPYRAN-5-CARBOXYLIC ACID DERIV, NCI60_000978, Pentalenopyran-5-carboxylic acid derivative, 6,7-dimethyl-4-methylidene-3-oxo-1,3,4,7,7a,9a-hexahydropentaleno[1,6a-c]pyran-9-carboxylic acid, 6,7-Dimethyl-4-methylene-3-oxo-1,3,4,7,7a,9a-hexahydropentaleno(1,6a-c)pyran-9-carboxylic acid
| Molecular Formula | C15H16O4 |
|---|---|
| Molecular Weight | 260.10 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 260.10486 |
| Heavy Atoms | 19 |
| Complexity | 569.0 |
Chemical Identifiers
| CAS Number | 7145-00-8 |
|---|---|
| SMILES | CC1C2C=C(C3C2(C=C1C)C(=C)C(=O)OC3)C(=O)O |
| InChIKey | CRWVSJINJPKGIZ-UHFFFAOYSA-N |
Product Overview
PENTALENOPYRAN-5-CARBOXYLIC ACID DERIV (CAS 7145-00-8), with molecular formula C15H16O4 and molecular weight 260.10 g/mol. IUPAC: 7,8-dimethyl-1-methylidene-2-oxo-4,4a,6a,7-tetrahydropentaleno[1,6a-c]pyran-5-carboxylic acid.
Chemical Property Profile of PENTALENOPYRAN-5-CARBOXYLIC ACID DERIV
Property Insights of PENTALENOPYRAN-5-CARBOXYLIC ACID DERIV
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for PENTALENOPYRAN-5-CARBOXYLIC ACID DERIV. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for PENTALENOPYRAN-5-CARBOXYLIC ACID DERIV. Following Lipinski's Rule of Five, PENTALENOPYRAN-5-CARBOXYLIC ACID DERIV has 1 hydrogen bond donor(s) and 4 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 PENTALENOPYRAN-5-CARBOXYLIC ACID DERIV?
The CAS number of PENTALENOPYRAN-5-CARBOXYLIC ACID DERIV is 7145-00-8.
What is the molecular formula of PENTALENOPYRAN-5-CARBOXYLIC ACID DERIV?
The molecular formula of PENTALENOPYRAN-5-CARBOXYLIC ACID DERIV is C15H16O4.
What is the molecular weight of PENTALENOPYRAN-5-CARBOXYLIC ACID DERIV?
The molecular weight of PENTALENOPYRAN-5-CARBOXYLIC ACID DERIV is 260.10 g/mol.
Where can I buy PENTALENOPYRAN-5-CARBOXYLIC ACID DERIV?
You can request a quote for PENTALENOPYRAN-5-CARBOXYLIC ACID DERIV directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for PENTALENOPYRAN-5-CARBOXYLIC ACID DERIV?
Yes, KEHONG BIO provides custom synthesis services for PENTALENOPYRAN-5-CARBOXYLIC ACID DERIV and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.