InChI=1/C8H12ClNO/c1-10-6-7(3-2-4-9)5-8(10)11/h5H,2-4,6H2,1H
TL;DR: InChI=1/C8H12ClNO/c1-10-6-7(3-2-4-9)5-8(10)11/h5H,2-4,6H2,1H (CAS 402938-00-5) is a chemical compound with molecular formula C8H12ClNO and molecular weight 173.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-chloropropyl)-1-methyl-2H-pyrrol-5-one
Also Known As: J1.730.080F, 3-(3-chloropropyl)-1-methyl-2H-pyrrol-5-one, 4-(3-chloropropyl)-1-methyl-5H-pyrrol-2-one, 1-Methyl-4-(3-chloropropyl)-3-pyrroline-2-one, 4-(3-chloropropyl)-1-methyl-1H-pyrrol-2(5H)-one
| Molecular Formula | C8H12ClNO |
|---|---|
| Molecular Weight | 173.06 g/mol |
| LogP | 1.4038 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 173.06075 |
| Heavy Atoms | 11 |
| Complexity | 188.53108 |
Chemical Identifiers
| CAS Number | 402938-00-5 |
|---|---|
| SMILES | CN1CC(=CC1=O)CCCCl |
Product Overview
InChI=1/C8H12ClNO/c1-10-6-7(3-2-4-9)5-8(10)11/h5H,2-4,6H2,1H (CAS 402938-00-5), with molecular formula C8H12ClNO and molecular weight 173.06 g/mol. IUPAC: 3-(3-chloropropyl)-1-methyl-2H-pyrrol-5-one.
Chemical Property Profile of InChI=1/C8H12ClNO/c1-10-6-7(3-2-4-9)5-8(10)11/h5H,2-4,6H2,1H
Property Insights of InChI=1/C8H12ClNO/c1-10-6-7(3-2-4-9)5-8(10)11/h5H,2-4,6H2,1H
The XLogP value of 1.4038 suggests moderate lipophilicity, balancing water solubility and membrane permeability for InChI=1/C8H12ClNO/c1-10-6-7(3-2-4-9)5-8(10)11/h5H,2-4,6H2,1H. With a topological polar surface area (TPSA) of 20.31 Ų, InChI=1/C8H12ClNO/c1-10-6-7(3-2-4-9)5-8(10)11/h5H,2-4,6H2,1H exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, InChI=1/C8H12ClNO/c1-10-6-7(3-2-4-9)5-8(10)11/h5H,2-4,6H2,1H 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 InChI=1/C8H12ClNO/c1-10-6-7(3-2-4-9)5-8(10)11/h5H,2-4,6H2,1H?
The CAS number of InChI=1/C8H12ClNO/c1-10-6-7(3-2-4-9)5-8(10)11/h5H,2-4,6H2,1H is 402938-00-5.
What is the molecular formula of InChI=1/C8H12ClNO/c1-10-6-7(3-2-4-9)5-8(10)11/h5H,2-4,6H2,1H?
The molecular formula of InChI=1/C8H12ClNO/c1-10-6-7(3-2-4-9)5-8(10)11/h5H,2-4,6H2,1H is C8H12ClNO.
What is the molecular weight of InChI=1/C8H12ClNO/c1-10-6-7(3-2-4-9)5-8(10)11/h5H,2-4,6H2,1H?
The molecular weight of InChI=1/C8H12ClNO/c1-10-6-7(3-2-4-9)5-8(10)11/h5H,2-4,6H2,1H is 173.06 g/mol.
Where can I buy InChI=1/C8H12ClNO/c1-10-6-7(3-2-4-9)5-8(10)11/h5H,2-4,6H2,1H?
You can request a quote for InChI=1/C8H12ClNO/c1-10-6-7(3-2-4-9)5-8(10)11/h5H,2-4,6H2,1H directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for InChI=1/C8H12ClNO/c1-10-6-7(3-2-4-9)5-8(10)11/h5H,2-4,6H2,1H?
Yes, KEHONG BIO provides custom synthesis services for InChI=1/C8H12ClNO/c1-10-6-7(3-2-4-9)5-8(10)11/h5H,2-4,6H2,1H and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.