Carbonochloridic acid, C,C'-1,4-butanediyl ester
TL;DR: Carbonochloridic acid, C,C'-1,4-butanediyl ester (CAS 2157-16-6) is a chemical compound with molecular formula C6H8Cl2O4 and molecular weight 213.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-carbonochloridoyloxybutyl carbonochloridate
Also Known As: butane-1,4-diyl dicarbonochloridate, 1,4-Butanediol bis(chloroformate), Butanediol bischloroformate, Carbonochloridic acid, 1,4-butanediyl ester, Tetramethylene bis(chloroformate)
| Molecular Formula | C6H8Cl2O4 |
|---|---|
| Molecular Weight | 213.98 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 213.97997 |
| Heavy Atoms | 12 |
| Complexity | 142.0 |
Chemical Identifiers
| CAS Number | 2157-16-6 |
|---|---|
| SMILES | C(CCOC(=O)Cl)COC(=O)Cl |
| InChIKey | AUKORMQZRYQYGI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Carbonochloridic acid, C,C'-1,4-butanediyl ester (CAS 2157-16-6), with molecular formula C6H8Cl2O4 and molecular weight 213.98 g/mol. IUPAC: 4-carbonochloridoyloxybutyl carbonochloridate.
Chemical Property Profile of Carbonochloridic acid, C,C'-1,4-butanediyl ester
Property Insights of Carbonochloridic acid, C,C'-1,4-butanediyl ester
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbonochloridic acid, C,C'-1,4-butanediyl ester. With a topological polar surface area (TPSA) of 52.6 Ų, Carbonochloridic acid, C,C'-1,4-butanediyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbonochloridic acid, C,C'-1,4-butanediyl ester has 0 hydrogen bond donor(s) and 4 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 Carbonochloridic acid, C,C'-1,4-butanediyl ester?
The CAS number of Carbonochloridic acid, C,C'-1,4-butanediyl ester is 2157-16-6.
What is the molecular formula of Carbonochloridic acid, C,C'-1,4-butanediyl ester?
The molecular formula of Carbonochloridic acid, C,C'-1,4-butanediyl ester is C6H8Cl2O4.
What is the molecular weight of Carbonochloridic acid, C,C'-1,4-butanediyl ester?
The molecular weight of Carbonochloridic acid, C,C'-1,4-butanediyl ester is 213.98 g/mol.
Where can I buy Carbonochloridic acid, C,C'-1,4-butanediyl ester?
You can request a quote for Carbonochloridic acid, C,C'-1,4-butanediyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbonochloridic acid, C,C'-1,4-butanediyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbonochloridic acid, C,C'-1,4-butanediyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.