Pentachlorophenyl propan-2-yl carbonate
TL;DR: Pentachlorophenyl propan-2-yl carbonate (CAS 7402-41-7) is a chemical compound with molecular formula C10H7Cl5O3 and molecular weight 349.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,3,4,5,6-pentachlorophenyl) propan-2-yl carbonate
Also Known As: pentachlorophenyl propan-2-yl carbonate, (2,3,4,5,6-pentachlorophenyl) propan-2-yl carbonate, carbonic acid isopropyl ester-pentachlorophenyl ester, CARBONIC ACID, ISOPROPYL PENTACHLOROPHENYL ESTER
| Molecular Formula | C10H7Cl5O3 |
|---|---|
| Molecular Weight | 349.88 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 349.8838 |
| Heavy Atoms | 18 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 7402-41-7 |
|---|---|
| SMILES | CC(C)OC(=O)OC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl |
| InChIKey | SIVWOEZATKKCEA-UHFFFAOYSA-N |
Product Overview
Pentachlorophenyl propan-2-yl carbonate (CAS 7402-41-7), with molecular formula C10H7Cl5O3 and molecular weight 349.88 g/mol. IUPAC: (2,3,4,5,6-pentachlorophenyl) propan-2-yl carbonate.
Chemical Property Profile of Pentachlorophenyl propan-2-yl carbonate
Property Insights of Pentachlorophenyl propan-2-yl carbonate
The XLogP value of 6.0 indicates that Pentachlorophenyl propan-2-yl carbonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Pentachlorophenyl propan-2-yl carbonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentachlorophenyl propan-2-yl carbonate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pentachlorophenyl propan-2-yl carbonate?
The CAS number of Pentachlorophenyl propan-2-yl carbonate is 7402-41-7.
What is the molecular formula of Pentachlorophenyl propan-2-yl carbonate?
The molecular formula of Pentachlorophenyl propan-2-yl carbonate is C10H7Cl5O3.
What is the molecular weight of Pentachlorophenyl propan-2-yl carbonate?
The molecular weight of Pentachlorophenyl propan-2-yl carbonate is 349.88 g/mol.
Where can I buy Pentachlorophenyl propan-2-yl carbonate?
You can request a quote for Pentachlorophenyl propan-2-yl carbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentachlorophenyl propan-2-yl carbonate?
Yes, KEHONG BIO provides custom synthesis services for Pentachlorophenyl propan-2-yl carbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.