4-氯-2H-1-苯硫代吡喃-3-甲醛
TL;DR: 4-氯-2H-1-苯硫代吡喃-3-甲醛 (CAS 14063-83-3) is a chemical compound with molecular formula C10H7ClOS and molecular weight 209.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氯-2H-1-苯硫代吡喃-3-甲醛
4-chloro-2H-thiochromene-3-carbaldehyde
Also Known As: 4-chloro-2h-thiochromene-3-carbaldehyde, 4-Chloro-2H-1-benzothiopyran-3-carboxaldehyde, 4-chloro-3-formyl-thiochrom-3-ene, 4-chloro-2h-1-benzothiopyran-3-carbaldehyde, 4-chloro-2H-benzo[e]thiin-3-carbaldehyde
| Molecular Formula | C10H7ClOS |
|---|---|
| Molecular Weight | 209.99 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 209.99062 |
| Heavy Atoms | 13 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 14063-83-3 |
|---|---|
| SMILES | C1C(=C(C2=CC=CC=C2S1)Cl)C=O |
| InChIKey | DADSQEKJVIEJHZ-UHFFFAOYSA-N |
Product Overview
4-氯-2H-1-苯硫代吡喃-3-甲醛 (CAS 14063-83-3), with molecular formula C10H7ClOS and molecular weight 209.99 g/mol. IUPAC: 4-chloro-2H-thiochromene-3-carbaldehyde.
Chemical Property Profile of 4-氯-2H-1-苯硫代吡喃-3-甲醛
Property Insights of 4-氯-2H-1-苯硫代吡喃-3-甲醛
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-氯-2H-1-苯硫代吡喃-3-甲醛. With a topological polar surface area (TPSA) of 42.4 Ų, 4-氯-2H-1-苯硫代吡喃-3-甲醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-氯-2H-1-苯硫代吡喃-3-甲醛 has 0 hydrogen bond donor(s) and 2 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 4-氯-2H-1-苯硫代吡喃-3-甲醛?
The CAS number of 4-氯-2H-1-苯硫代吡喃-3-甲醛 is 14063-83-3.
What is the molecular formula of 4-氯-2H-1-苯硫代吡喃-3-甲醛?
The molecular formula of 4-氯-2H-1-苯硫代吡喃-3-甲醛 is C10H7ClOS.
What is the molecular weight of 4-氯-2H-1-苯硫代吡喃-3-甲醛?
The molecular weight of 4-氯-2H-1-苯硫代吡喃-3-甲醛 is 209.99 g/mol.
Where can I buy 4-氯-2H-1-苯硫代吡喃-3-甲醛?
You can request a quote for 4-氯-2H-1-苯硫代吡喃-3-甲醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-氯-2H-1-苯硫代吡喃-3-甲醛?
Yes, KEHONG BIO provides custom synthesis services for 4-氯-2H-1-苯硫代吡喃-3-甲醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.