己二酸-丁烷-1,1-二醇(1/1)
TL;DR: 己二酸-丁烷-1,1-二醇(1/1) (CAS 37277-51-3) is a chemical compound with molecular formula C10H20O6 and molecular weight 236.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
己二酸-丁烷-1,1-二醇(1/1)
butane-1,1-diol;hexanedioic acid
Also Known As: Hexanedioic acid, polymer with butanediol, adipic acid; butane-1,1-diol, butane-1,1-diol; hexanedioic acid, Hexanedioic acid--butane-1,1-diol (1/1), (C6-H10-O4.C4-H10-O2)x-
| Molecular Formula | C10H20O6 |
|---|---|
| Molecular Weight | 236.13 g/mol |
| LogP | 0.8132 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 236.12599 |
| Heavy Atoms | 16 |
| Complexity | 140.0 |
Chemical Identifiers
| CAS Number | 37277-51-3 |
|---|---|
| SMILES | CCCC(O)O.C(CCC(=O)O)CC(=O)O |
| InChIKey | PTIXVVCRANICNC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
己二酸-丁烷-1,1-二醇(1/1) (CAS 37277-51-3), with molecular formula C10H20O6 and molecular weight 236.13 g/mol. IUPAC: butane-1,1-diol;hexanedioic acid.
Chemical Property Profile of 己二酸-丁烷-1,1-二醇(1/1)
Property Insights of 己二酸-丁烷-1,1-二醇(1/1)
The XLogP value of 0.8132 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 己二酸-丁烷-1,1-二醇(1/1). The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 己二酸-丁烷-1,1-二醇(1/1). Following Lipinski's Rule of Five, 己二酸-丁烷-1,1-二醇(1/1) has 4 hydrogen bond donor(s) and 6 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 己二酸-丁烷-1,1-二醇(1/1)?
The CAS number of 己二酸-丁烷-1,1-二醇(1/1) is 37277-51-3.
What is the molecular formula of 己二酸-丁烷-1,1-二醇(1/1)?
The molecular formula of 己二酸-丁烷-1,1-二醇(1/1) is C10H20O6.
What is the molecular weight of 己二酸-丁烷-1,1-二醇(1/1)?
The molecular weight of 己二酸-丁烷-1,1-二醇(1/1) is 236.13 g/mol.
Where can I buy 己二酸-丁烷-1,1-二醇(1/1)?
You can request a quote for 己二酸-丁烷-1,1-二醇(1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 己二酸-丁烷-1,1-二醇(1/1)?
Yes, KEHONG BIO provides custom synthesis services for 己二酸-丁烷-1,1-二醇(1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.