4H-1-Benzopyran-4-one, 7-methoxy-3-methyl-2-(phenylmethyl)-8-(1-pyrrolidinylmethyl)-, hydrochloride
TL;DR: 4H-1-Benzopyran-4-one, 7-methoxy-3-methyl-2-(phenylmethyl)-8-(1-pyrrolidinylmethyl)-, hydrochloride (CAS 138833-30-4) is a chemical compound with molecular formula C23H26ClNO3 and molecular weight 399.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-7-methoxy-3-methyl-8-(pyrrolidin-1-ylmethyl)chromen-4-one;hydrochloride
Also Known As: 4H-1-Benzopyran-4-one, 7-methoxy-3-methyl-2-(phenylmethyl)-8-(1-pyrrolidinylmethyl)-, hydrochloride, Chromone, 2-benzyl-7-methoxy-3-methyl-8-(1-pyrrolidinylmethyl)-, hydrochloride, 2-benzyl-7-methoxy-3-methyl-8-(pyrrolidin-1-ylmethyl)chromen-4-one hydrochloride, 2-Benzyl-7-methoxy-3-methyl-8-[(pyrrolidin-1-yl)methyl]-4H-1-benzopyran-4-one--hydrogen chloride (1/1), RefChem:297403
| Molecular Formula | C23H26ClNO3 |
|---|---|
| Molecular Weight | 399.16 g/mol |
| LogP | 4.71842 |
| Topological Polar Surface Area | 42.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 399.16013 |
| Heavy Atoms | 28 |
| Complexity | 1007.7714 |
Chemical Identifiers
| CAS Number | 138833-30-4 |
|---|---|
| SMILES | CC1=C(OC2=C(C1=O)C=CC(=C2CN3CCCC3)OC)CC4=CC=CC=C4.Cl |
Product Overview
4H-1-Benzopyran-4-one, 7-methoxy-3-methyl-2-(phenylmethyl)-8-(1-pyrrolidinylmethyl)-, hydrochloride (CAS 138833-30-4), with molecular formula C23H26ClNO3 and molecular weight 399.16 g/mol. IUPAC: 2-benzyl-7-methoxy-3-methyl-8-(pyrrolidin-1-ylmethyl)chromen-4-one;hydrochloride.
Chemical Property Profile of 4H-1-Benzopyran-4-one, 7-methoxy-3-methyl-2-(phenylmethyl)-8-(1-pyrrolidinylmethyl)-, hydrochloride
Property Insights of 4H-1-Benzopyran-4-one, 7-methoxy-3-methyl-2-(phenylmethyl)-8-(1-pyrrolidinylmethyl)-, hydrochloride
The XLogP value of 4.71842 indicates that 4H-1-Benzopyran-4-one, 7-methoxy-3-methyl-2-(phenylmethyl)-8-(1-pyrrolidinylmethyl)-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.68 Ų, 4H-1-Benzopyran-4-one, 7-methoxy-3-methyl-2-(phenylmethyl)-8-(1-pyrrolidinylmethyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-1-Benzopyran-4-one, 7-methoxy-3-methyl-2-(phenylmethyl)-8-(1-pyrrolidinylmethyl)-, hydrochloride 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 4H-1-Benzopyran-4-one, 7-methoxy-3-methyl-2-(phenylmethyl)-8-(1-pyrrolidinylmethyl)-, hydrochloride?
The CAS number of 4H-1-Benzopyran-4-one, 7-methoxy-3-methyl-2-(phenylmethyl)-8-(1-pyrrolidinylmethyl)-, hydrochloride is 138833-30-4.
What is the molecular formula of 4H-1-Benzopyran-4-one, 7-methoxy-3-methyl-2-(phenylmethyl)-8-(1-pyrrolidinylmethyl)-, hydrochloride?
The molecular formula of 4H-1-Benzopyran-4-one, 7-methoxy-3-methyl-2-(phenylmethyl)-8-(1-pyrrolidinylmethyl)-, hydrochloride is C23H26ClNO3.
What is the molecular weight of 4H-1-Benzopyran-4-one, 7-methoxy-3-methyl-2-(phenylmethyl)-8-(1-pyrrolidinylmethyl)-, hydrochloride?
The molecular weight of 4H-1-Benzopyran-4-one, 7-methoxy-3-methyl-2-(phenylmethyl)-8-(1-pyrrolidinylmethyl)-, hydrochloride is 399.16 g/mol.
Where can I buy 4H-1-Benzopyran-4-one, 7-methoxy-3-methyl-2-(phenylmethyl)-8-(1-pyrrolidinylmethyl)-, hydrochloride?
You can request a quote for 4H-1-Benzopyran-4-one, 7-methoxy-3-methyl-2-(phenylmethyl)-8-(1-pyrrolidinylmethyl)-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-1-Benzopyran-4-one, 7-methoxy-3-methyl-2-(phenylmethyl)-8-(1-pyrrolidinylmethyl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 4H-1-Benzopyran-4-one, 7-methoxy-3-methyl-2-(phenylmethyl)-8-(1-pyrrolidinylmethyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.