N-(1-adamantylmethyl)-6,8-dichloro-2-oxochromene-3-carboxamide
TL;DR: N-(1-adamantylmethyl)-6,8-dichloro-2-oxochromene-3-carboxamide (CAS 727663-59-4) is a chemical compound with molecular formula C21H21Cl2NO3 and molecular weight 405.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-adamantylmethyl)-6,8-dichloro-2-oxochromene-3-carboxamide
Also Known As: AS-871/43241252, N-(1-adamantylmethyl)-6,8-dichloro-2-oxochromene-3-carboxamide, A3732/0158194, 6,8-dichloro-2-oxo-N-(tricyclo[3.3.1.1~3,7~]dec-1-ylmethyl)-2H-chromene-3-carboxamide, N-(1-adamantylmethyl)-6,8-dichloro-2-oxo-2H-chromene-3-carboxamide
| Molecular Formula | C21H21Cl2NO3 |
|---|---|
| Molecular Weight | 405.09 g/mol |
| LogP | 5.046 |
| Topological Polar Surface Area | 59.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 405.08984 |
| Heavy Atoms | 27 |
| Complexity | 961.53546 |
Chemical Identifiers
| CAS Number | 727663-59-4 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=CC5=CC(=CC(=C5OC4=O)Cl)Cl |
Product Overview
N-(1-adamantylmethyl)-6,8-dichloro-2-oxochromene-3-carboxamide (CAS 727663-59-4), with molecular formula C21H21Cl2NO3 and molecular weight 405.09 g/mol. IUPAC: N-(1-adamantylmethyl)-6,8-dichloro-2-oxochromene-3-carboxamide.
Chemical Property Profile of N-(1-adamantylmethyl)-6,8-dichloro-2-oxochromene-3-carboxamide
Property Insights of N-(1-adamantylmethyl)-6,8-dichloro-2-oxochromene-3-carboxamide
The XLogP value of 5.046 indicates that N-(1-adamantylmethyl)-6,8-dichloro-2-oxochromene-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.31 Ų, N-(1-adamantylmethyl)-6,8-dichloro-2-oxochromene-3-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1-adamantylmethyl)-6,8-dichloro-2-oxochromene-3-carboxamide has 1 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 N-(1-adamantylmethyl)-6,8-dichloro-2-oxochromene-3-carboxamide?
The CAS number of N-(1-adamantylmethyl)-6,8-dichloro-2-oxochromene-3-carboxamide is 727663-59-4.
What is the molecular formula of N-(1-adamantylmethyl)-6,8-dichloro-2-oxochromene-3-carboxamide?
The molecular formula of N-(1-adamantylmethyl)-6,8-dichloro-2-oxochromene-3-carboxamide is C21H21Cl2NO3.
What is the molecular weight of N-(1-adamantylmethyl)-6,8-dichloro-2-oxochromene-3-carboxamide?
The molecular weight of N-(1-adamantylmethyl)-6,8-dichloro-2-oxochromene-3-carboxamide is 405.09 g/mol.
Where can I buy N-(1-adamantylmethyl)-6,8-dichloro-2-oxochromene-3-carboxamide?
You can request a quote for N-(1-adamantylmethyl)-6,8-dichloro-2-oxochromene-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1-adamantylmethyl)-6,8-dichloro-2-oxochromene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1-adamantylmethyl)-6,8-dichloro-2-oxochromene-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.