盐酸氢化可他宁
TL;DR: 盐酸氢化可他宁 (CAS 6078-54-2) is a chemical compound with molecular formula C12H18ClNO4 and molecular weight 275.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
盐酸氢化可他宁
4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline;hydrate;hydrochloride
Also Known As: hydrocotarnine hydrochloride, Hydrocotarnine, Hydrocotarnine hydrochloride hydrate, Hydrocotarnine hydrochloride [JAN], hydrocotarnine hydrochloride monohydrate
| Molecular Formula | C12H18ClNO4 |
|---|---|
| Molecular Weight | 275.09 g/mol |
| LogP | 1.01 |
| Topological Polar Surface Area | 31.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 275.09244 |
| Heavy Atoms | 18 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 6078-54-2 |
|---|---|
| SMILES | CN1CCC2=CC3=C(C(=C2C1)OC)OCO3.O.Cl |
| InChIKey | ZNQOHJRIIMHFDR-UHFFFAOYSA-N |
Product Overview
盐酸氢化可他宁 (CAS 6078-54-2), with molecular formula C12H18ClNO4 and molecular weight 275.09 g/mol. IUPAC: 4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline;hydrate;hydrochloride.
Chemical Property Profile of 盐酸氢化可他宁
Property Insights of 盐酸氢化可他宁
The XLogP value of 1.01 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 盐酸氢化可他宁. With a topological polar surface area (TPSA) of 31.9 Ų, 盐酸氢化可他宁 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 盐酸氢化可他宁 has 2 hydrogen bond donor(s) and 5 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 盐酸氢化可他宁?
The CAS number of 盐酸氢化可他宁 is 6078-54-2.
What is the molecular formula of 盐酸氢化可他宁?
The molecular formula of 盐酸氢化可他宁 is C12H18ClNO4.
What is the molecular weight of 盐酸氢化可他宁?
The molecular weight of 盐酸氢化可他宁 is 275.09 g/mol.
Where can I buy 盐酸氢化可他宁?
You can request a quote for 盐酸氢化可他宁 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 盐酸氢化可他宁?
Yes, KEHONG BIO provides custom synthesis services for 盐酸氢化可他宁 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.