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Methyl 3-{[(1-adamantylamino)carbonyl]amino}-4-chlorobenzoate
TL;DR: Methyl 3-{[(1-adamantylamino)carbonyl]amino}-4-chlorobenzoate (CAS 438479-89-1) is a chemical compound with molecular formula C19H23ClN2O3 and molecular weight 362.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(1-adamantylcarbamoylamino)-4-chlorobenzoate
Also Known As: methyl 3-{[(1-adamantylamino)carbonyl]amino}-4-chlorobenzoate, methyl 3-(1-adamantylcarbamoylamino)-4-chlorobenzoate
| Molecular Formula | C19H23ClN2O3 |
|---|---|
| Molecular Weight | 362.14 g/mol |
| LogP | 4.2169 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 362.1397 |
| Heavy Atoms | 25 |
| Complexity | 683.3366 |
Chemical Identifiers
| CAS Number | 438479-89-1 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)NC23CC4CC(C2)CC(C4)C3 |
Product Overview
Methyl 3-{[(1-adamantylamino)carbonyl]amino}-4-chlorobenzoate (CAS 438479-89-1), with molecular formula C19H23ClN2O3 and molecular weight 362.14 g/mol. IUPAC: methyl 3-(1-adamantylcarbamoylamino)-4-chlorobenzoate.
Chemical Property Profile of Methyl 3-{[(1-adamantylamino)carbonyl]amino}-4-chlorobenzoate
Property Insights of Methyl 3-{[(1-adamantylamino)carbonyl]amino}-4-chlorobenzoate
The XLogP value of 4.2169 indicates that Methyl 3-{[(1-adamantylamino)carbonyl]amino}-4-chlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-{[(1-adamantylamino)carbonyl]amino}-4-chlorobenzoate. Following Lipinski's Rule of Five, Methyl 3-{[(1-adamantylamino)carbonyl]amino}-4-chlorobenzoate has 2 hydrogen bond donor(s) and 3 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 Methyl 3-{[(1-adamantylamino)carbonyl]amino}-4-chlorobenzoate?
The CAS number of Methyl 3-{[(1-adamantylamino)carbonyl]amino}-4-chlorobenzoate is 438479-89-1.
What is the molecular formula of Methyl 3-{[(1-adamantylamino)carbonyl]amino}-4-chlorobenzoate?
The molecular formula of Methyl 3-{[(1-adamantylamino)carbonyl]amino}-4-chlorobenzoate is C19H23ClN2O3.
What is the molecular weight of Methyl 3-{[(1-adamantylamino)carbonyl]amino}-4-chlorobenzoate?
The molecular weight of Methyl 3-{[(1-adamantylamino)carbonyl]amino}-4-chlorobenzoate is 362.14 g/mol.
Where can I buy Methyl 3-{[(1-adamantylamino)carbonyl]amino}-4-chlorobenzoate?
You can request a quote for Methyl 3-{[(1-adamantylamino)carbonyl]amino}-4-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-{[(1-adamantylamino)carbonyl]amino}-4-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-{[(1-adamantylamino)carbonyl]amino}-4-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.