2-Propanol, 1,3-dichloro-, 2-carbamate
TL;DR: 2-Propanol, 1,3-dichloro-, 2-carbamate (CAS 587-01-9) is a chemical compound with molecular formula C4H7Cl2NO2 and molecular weight 170.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dichloropropan-2-yl carbamate
Also Known As: Cremaphor, CremophorEL, 1,3-dichloropropan-2-yl carbamate, Cremophor EL, Emulsogen EL
| Molecular Formula | C4H7Cl2NO2 |
|---|---|
| Molecular Weight | 170.99 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 170.98538 |
| Heavy Atoms | 9 |
| Complexity | 94.0 |
Chemical Identifiers
| CAS Number | 587-01-9 |
|---|---|
| SMILES | C(C(CCl)OC(=O)N)Cl |
| InChIKey | JMNCUXPHXKHBPY-UHFFFAOYSA-N |
Product Overview
2-Propanol, 1,3-dichloro-, 2-carbamate (CAS 587-01-9), with molecular formula C4H7Cl2NO2 and molecular weight 170.99 g/mol. IUPAC: 1,3-dichloropropan-2-yl carbamate.
Chemical Property Profile of 2-Propanol, 1,3-dichloro-, 2-carbamate
Property Insights of 2-Propanol, 1,3-dichloro-, 2-carbamate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propanol, 1,3-dichloro-, 2-carbamate. With a topological polar surface area (TPSA) of 52.3 Ų, 2-Propanol, 1,3-dichloro-, 2-carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propanol, 1,3-dichloro-, 2-carbamate has 1 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 2-Propanol, 1,3-dichloro-, 2-carbamate?
The CAS number of 2-Propanol, 1,3-dichloro-, 2-carbamate is 587-01-9.
What is the molecular formula of 2-Propanol, 1,3-dichloro-, 2-carbamate?
The molecular formula of 2-Propanol, 1,3-dichloro-, 2-carbamate is C4H7Cl2NO2.
What is the molecular weight of 2-Propanol, 1,3-dichloro-, 2-carbamate?
The molecular weight of 2-Propanol, 1,3-dichloro-, 2-carbamate is 170.99 g/mol.
Where can I buy 2-Propanol, 1,3-dichloro-, 2-carbamate?
You can request a quote for 2-Propanol, 1,3-dichloro-, 2-carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propanol, 1,3-dichloro-, 2-carbamate?
Yes, KEHONG BIO provides custom synthesis services for 2-Propanol, 1,3-dichloro-, 2-carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.