6-Chloro-4-hydroxychroman-2-carboxylic acid lactone
TL;DR: 6-Chloro-4-hydroxychroman-2-carboxylic acid lactone (CAS 77155-94-3) is a chemical compound with molecular formula C10H7ClO3 and molecular weight 210.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-8,11-dioxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-10-one
Also Known As: Chccal, 6-Chloro-4-hydroxychroman-2-carboxylic acid lactone, 6-chloro-4-hydroxychroman-2-carboxylicacidlactone, 2,5-Methano-5H-1,4-benzodioxepin-3(2H)-one, 7-chloro-, 7-Chloro-5H-2,5-methano-1,4-benzodioxepin-3(2H)-one
| Molecular Formula | C10H7ClO3 |
|---|---|
| Molecular Weight | 210.01 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 210.00838 |
| Heavy Atoms | 14 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 77155-94-3 |
|---|---|
| SMILES | C1C2C3=C(C=CC(=C3)Cl)OC1C(=O)O2 |
| InChIKey | CBOXLTPDJBPWPZ-UHFFFAOYSA-N |
Product Overview
6-Chloro-4-hydroxychroman-2-carboxylic acid lactone (CAS 77155-94-3), with molecular formula C10H7ClO3 and molecular weight 210.01 g/mol. IUPAC: 4-chloro-8,11-dioxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-10-one.
Chemical Property Profile of 6-Chloro-4-hydroxychroman-2-carboxylic acid lactone
Property Insights of 6-Chloro-4-hydroxychroman-2-carboxylic acid lactone
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Chloro-4-hydroxychroman-2-carboxylic acid lactone. With a topological polar surface area (TPSA) of 35.5 Ų, 6-Chloro-4-hydroxychroman-2-carboxylic acid lactone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Chloro-4-hydroxychroman-2-carboxylic acid lactone 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 6-Chloro-4-hydroxychroman-2-carboxylic acid lactone?
The CAS number of 6-Chloro-4-hydroxychroman-2-carboxylic acid lactone is 77155-94-3.
What is the molecular formula of 6-Chloro-4-hydroxychroman-2-carboxylic acid lactone?
The molecular formula of 6-Chloro-4-hydroxychroman-2-carboxylic acid lactone is C10H7ClO3.
What is the molecular weight of 6-Chloro-4-hydroxychroman-2-carboxylic acid lactone?
The molecular weight of 6-Chloro-4-hydroxychroman-2-carboxylic acid lactone is 210.01 g/mol.
Where can I buy 6-Chloro-4-hydroxychroman-2-carboxylic acid lactone?
You can request a quote for 6-Chloro-4-hydroxychroman-2-carboxylic acid lactone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Chloro-4-hydroxychroman-2-carboxylic acid lactone?
Yes, KEHONG BIO provides custom synthesis services for 6-Chloro-4-hydroxychroman-2-carboxylic acid lactone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.