(2S)-2-氯丙腈
TL;DR: (2S)-2-氯丙腈 (CAS 1617-17-0) is a chemical compound with molecular formula C3H4ClN and molecular weight 89.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-氯丙腈
(2S)-2-chloropropanenitrile
Also Known As: (2s)-2-chloropropanenitrile, 2-Chloropropionitrile, (s)-2-chloropropionitrile, CH3CHClCN, (s)-2-chloropropanenitrile
| Molecular Formula | C3H4ClN |
|---|---|
| Molecular Weight | 89.00 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 89.00323 |
| Heavy Atoms | 5 |
| Complexity | 60.0 |
Chemical Identifiers
| CAS Number | 1617-17-0 |
|---|---|
| SMILES | C[C@@H](C#N)Cl |
| InChIKey | JNAYPRPPXRWGQO-VKHMYHEASA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2S)-2-氯丙腈 (CAS 1617-17-0), with molecular formula C3H4ClN and molecular weight 89.00 g/mol. IUPAC: (2S)-2-chloropropanenitrile.
Chemical Property Profile of (2S)-2-氯丙腈
Property Insights of (2S)-2-氯丙腈
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-2-氯丙腈. With a topological polar surface area (TPSA) of 23.8 Ų, (2S)-2-氯丙腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2S)-2-氯丙腈 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 (2S)-2-氯丙腈?
The CAS number of (2S)-2-氯丙腈 is 1617-17-0.
What is the molecular formula of (2S)-2-氯丙腈?
The molecular formula of (2S)-2-氯丙腈 is C3H4ClN.
What is the molecular weight of (2S)-2-氯丙腈?
The molecular weight of (2S)-2-氯丙腈 is 89.00 g/mol.
Where can I buy (2S)-2-氯丙腈?
You can request a quote for (2S)-2-氯丙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S)-2-氯丙腈?
Yes, KEHONG BIO provides custom synthesis services for (2S)-2-氯丙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.