ChemDiv2_000003
TL;DR: ChemDiv2_000003 (CAS 306321-98-2) is a chemical compound with molecular formula C19H18O7 and molecular weight 358.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetyl]-3-hydroxyphenoxy]acetic acid
Also Known As: ChemDiv2_000003, 2-(4-(2-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)acetyl)-3-hydroxyphenoxy)acetic acid, [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylacetyl)-3-hydroxyphenoxy]acetic acid, 2-[4-(2-(2H,3H,4H-benzo[b]1,4-dioxepan-7-yl)acetyl)-3-hydroxyphenoxy]acetic ac id, 2-[4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetyl]-3-hydroxyphenoxy]acetic acid
| Molecular Formula | C19H18O7 |
|---|---|
| Molecular Weight | 358.11 g/mol |
| LogP | 2.4423 |
| Topological Polar Surface Area | 102.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 358.10526 |
| Heavy Atoms | 26 |
| Complexity | 828.6325 |
Chemical Identifiers
| CAS Number | 306321-98-2 |
|---|---|
| SMILES | C1COC2=C(C=C(C=C2)CC(=O)C3=C(C=C(C=C3)OCC(=O)O)O)OC1 |
Product Overview
ChemDiv2_000003 (CAS 306321-98-2), with molecular formula C19H18O7 and molecular weight 358.11 g/mol. IUPAC: 2-[4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetyl]-3-hydroxyphenoxy]acetic acid.
Chemical Property Profile of ChemDiv2_000003
Property Insights of ChemDiv2_000003
The XLogP value of 2.4423 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_000003. The TPSA of 102.29 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_000003. Following Lipinski's Rule of Five, ChemDiv2_000003 has 2 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 ChemDiv2_000003?
The CAS number of ChemDiv2_000003 is 306321-98-2.
What is the molecular formula of ChemDiv2_000003?
The molecular formula of ChemDiv2_000003 is C19H18O7.
What is the molecular weight of ChemDiv2_000003?
The molecular weight of ChemDiv2_000003 is 358.11 g/mol.
Where can I buy ChemDiv2_000003?
You can request a quote for ChemDiv2_000003 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_000003?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_000003 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.