吡喃并香豆素
TL;DR: 吡喃并香豆素 (CAS 5464-94-8) is a chemical compound with molecular formula C12H10O3 and molecular weight 202.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
吡喃并香豆素
2,4-dihydro-1H-pyrano[3,4-c]chromen-5-one
Also Known As: Pyranocoumarin, 3-Methylbutyl chloroacetate, 1,4-Dihydro-2H,5H-pyrano(3,4-c)(1)benzopyran-5-one, 1,4-Dihydro-2H,5H-pyrano[3,4-c][1]benzopyran-5-one, 2,4-dihydro-1H-pyrano[3,4-c]chromen-5-one
| Molecular Formula | C12H10O3 |
|---|---|
| Molecular Weight | 202.06 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 202.06299 |
| Heavy Atoms | 15 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 5464-94-8 |
|---|---|
| SMILES | C1COCC2=C1C3=CC=CC=C3OC2=O |
| InChIKey | WSECHJISCFFJEN-UHFFFAOYSA-N |
Product Overview
吡喃并香豆素 (CAS 5464-94-8), with molecular formula C12H10O3 and molecular weight 202.06 g/mol. IUPAC: 2,4-dihydro-1H-pyrano[3,4-c]chromen-5-one.
Chemical Property Profile of 吡喃并香豆素
Property Insights of 吡喃并香豆素
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 吡喃并香豆素. With a topological polar surface area (TPSA) of 35.5 Ų, 吡喃并香豆素 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 吡喃并香豆素 has 0 hydrogen bond donor(s) and 3 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 吡喃并香豆素?
The CAS number of 吡喃并香豆素 is 5464-94-8.
What is the molecular formula of 吡喃并香豆素?
The molecular formula of 吡喃并香豆素 is C12H10O3.
What is the molecular weight of 吡喃并香豆素?
The molecular weight of 吡喃并香豆素 is 202.06 g/mol.
Where can I buy 吡喃并香豆素?
You can request a quote for 吡喃并香豆素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 吡喃并香豆素?
Yes, KEHONG BIO provides custom synthesis services for 吡喃并香豆素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.