![[(1S)-1-isocyanatopropyl]benzene structure](/static/products/164/164033-12-9.png)
[(1S)-1-isocyanatopropyl]benzene
TL;DR: [(1S)-1-isocyanatopropyl]benzene (CAS 164033-12-9) is a chemical compound with molecular formula C10H11NO and molecular weight 161.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S)-1-isocyanatopropyl]benzene
Also Known As: [(1S)-1-isocyanatopropyl]benzene|(S)-(-)-1-Phenylpropyl isocyanate|Benzene, (1-isocyanatopropyl)-, (S)-|(S)-1-phenylpropyl isocyanate|Benzene, [(1S)-1-isocyanatopropyl]-|(1S)-1-isocyanatopropylbenzene|(5)-(1-isocyanatopropyl)benzene|(S)-(1-isocyanatopropyl)benzene|((1S)-1-isocyanatopropyl)benzene|(S)-(-)-1-PHENYLPROPYL ISOCYANATE, 95%|677-375-8|RefChem:389571|MFCD05664090|XGPXXSJFZSZULR-JTQLQIEISA-N|EN300-321073
| Molecular Formula | C10H11NO |
|---|---|
| Molecular Weight | 161.08 g/mol |
| LogP | 2.4735 |
| Topological Polar Surface Area | 29.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 161.08406 |
| Heavy Atoms | 12 |
| Complexity | 275.14987 |
Chemical Identifiers
| CAS Number | 164033-12-9 |
|---|---|
| SMILES | CC[C@@H](C1=CC=CC=C1)N=C=O |
Product Overview
[(1S)-1-isocyanatopropyl]benzene (CAS 164033-12-9), with molecular formula C10H11NO and molecular weight 161.08 g/mol. IUPAC: [(1S)-1-isocyanatopropyl]benzene.
Chemical Property Profile of [(1S)-1-isocyanatopropyl]benzene
Property Insights of [(1S)-1-isocyanatopropyl]benzene
The XLogP value of 2.4735 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(1S)-1-isocyanatopropyl]benzene. With a topological polar surface area (TPSA) of 29.43 Ų, [(1S)-1-isocyanatopropyl]benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [(1S)-1-isocyanatopropyl]benzene 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 [(1S)-1-isocyanatopropyl]benzene?
The CAS number of [(1S)-1-isocyanatopropyl]benzene is 164033-12-9.
What is the molecular formula of [(1S)-1-isocyanatopropyl]benzene?
The molecular formula of [(1S)-1-isocyanatopropyl]benzene is C10H11NO.
What is the molecular weight of [(1S)-1-isocyanatopropyl]benzene?
The molecular weight of [(1S)-1-isocyanatopropyl]benzene is 161.08 g/mol.
Where can I buy [(1S)-1-isocyanatopropyl]benzene?
You can request a quote for [(1S)-1-isocyanatopropyl]benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(1S)-1-isocyanatopropyl]benzene?
Yes, KEHONG BIO provides custom synthesis services for [(1S)-1-isocyanatopropyl]benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.