1,3-二氯丁-2-酮
TL;DR: 1,3-二氯丁-2-酮 (CAS 16714-77-5) is a chemical compound with molecular formula C4H6Cl2O and molecular weight 139.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-二氯丁-2-酮
1,3-dichlorobutan-2-one
Also Known As: 1,3-Dichlorobutan-2-one, 2-Butanone, 1,3-dichloro-, 1,3-Dichloro-2-butanone, 1,3-Dichloro-butanon-2, 2-Butanone,1,3-dichloro-
| Molecular Formula | C4H6Cl2O |
|---|---|
| Molecular Weight | 139.98 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 139.97957 |
| Heavy Atoms | 7 |
| Complexity | 72.0 |
Chemical Identifiers
| CAS Number | 16714-77-5 |
|---|---|
| SMILES | CC(C(=O)CCl)Cl |
| InChIKey | HAOIWZWGAUKVBO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-二氯丁-2-酮 (CAS 16714-77-5), with molecular formula C4H6Cl2O and molecular weight 139.98 g/mol. IUPAC: 1,3-dichlorobutan-2-one.
Chemical Property Profile of 1,3-二氯丁-2-酮
Property Insights of 1,3-二氯丁-2-酮
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-二氯丁-2-酮. With a topological polar surface area (TPSA) of 17.1 Ų, 1,3-二氯丁-2-酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-二氯丁-2-酮 has 0 hydrogen bond donor(s) and 1 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 1,3-二氯丁-2-酮?
The CAS number of 1,3-二氯丁-2-酮 is 16714-77-5.
What is the molecular formula of 1,3-二氯丁-2-酮?
The molecular formula of 1,3-二氯丁-2-酮 is C4H6Cl2O.
What is the molecular weight of 1,3-二氯丁-2-酮?
The molecular weight of 1,3-二氯丁-2-酮 is 139.98 g/mol.
Where can I buy 1,3-二氯丁-2-酮?
You can request a quote for 1,3-二氯丁-2-酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-二氯丁-2-酮?
Yes, KEHONG BIO provides custom synthesis services for 1,3-二氯丁-2-酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.