BRD-K78062244-001-05-7
TL;DR: BRD-K78062244-001-05-7 (CAS 449797-13-1) is a chemical compound with molecular formula C17H19ClN2O3 and molecular weight 334.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (3S)-2-(2-chloroacetyl)-1,1-dimethyl-4,9-dihydro-3H-pyrido[3,4-b]indole-3-carboxylate
Also Known As: BRD-K78062244-001-05-7, BRD-K78062244-001-06-5, methyl (3S)-2-(2-chloroacetyl)-1,1-dimethyl-4,9-dihydro-3H-pyrido[3,4-b]indole-3-carboxylate, (3S)-2-(2-chloro-1-oxoethyl)-1,1-dimethyl-4,9-dihydro-3H-pyrido[3,4-b]indole-3-carboxylic acid methyl ester, (3S)-2-(2-chloroacetyl)-1,1-dimethyl-4,9-dihydro-3H-beta-carboline-3-carboxylic acid methyl ester
| Molecular Formula | C17H19ClN2O3 |
|---|---|
| Molecular Weight | 334.11 g/mol |
| LogP | 2.5681 |
| Topological Polar Surface Area | 62.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 334.10843 |
| Heavy Atoms | 23 |
| Complexity | 781.2365 |
Chemical Identifiers
| CAS Number | 449797-13-1 |
|---|---|
| SMILES | CC1(C2=C(C[C@H](N1C(=O)CCl)C(=O)OC)C3=CC=CC=C3N2)C |
Product Overview
BRD-K78062244-001-05-7 (CAS 449797-13-1), with molecular formula C17H19ClN2O3 and molecular weight 334.11 g/mol. IUPAC: methyl (3S)-2-(2-chloroacetyl)-1,1-dimethyl-4,9-dihydro-3H-pyrido[3,4-b]indole-3-carboxylate.
Chemical Property Profile of BRD-K78062244-001-05-7
Property Insights of BRD-K78062244-001-05-7
The XLogP value of 2.5681 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BRD-K78062244-001-05-7. The TPSA of 62.4 Ų falls within the moderate polarity range, balancing permeability and solubility for BRD-K78062244-001-05-7. Following Lipinski's Rule of Five, BRD-K78062244-001-05-7 has 1 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 BRD-K78062244-001-05-7?
The CAS number of BRD-K78062244-001-05-7 is 449797-13-1.
What is the molecular formula of BRD-K78062244-001-05-7?
The molecular formula of BRD-K78062244-001-05-7 is C17H19ClN2O3.
What is the molecular weight of BRD-K78062244-001-05-7?
The molecular weight of BRD-K78062244-001-05-7 is 334.11 g/mol.
Where can I buy BRD-K78062244-001-05-7?
You can request a quote for BRD-K78062244-001-05-7 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRD-K78062244-001-05-7?
Yes, KEHONG BIO provides custom synthesis services for BRD-K78062244-001-05-7 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.