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Nicotinic acid, [4-[bis(2-chloroethyl)amino]-2-methoxybenzyl
TL;DR: Nicotinic acid, [4-[bis(2-chloroethyl)amino]-2-methoxybenzyl (CAS 16230-81-2) is a chemical compound with molecular formula C18H20Cl2N4O2 and molecular weight 394.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-[bis(2-chloroethyl)amino]-2-methoxyphenyl]methylideneamino]pyridine-3-carboxamide
Also Known As: Nicotinic acid, [4-[bis(2-chloroethyl)amino]-2-methoxybenzyl, N-[[4-[bis(2-chloroethyl)amino]-2-methoxyphenyl]methylideneamino]pyridine-3-carboxamide
| Molecular Formula | C18H20Cl2N4O2 |
|---|---|
| Molecular Weight | 394.10 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 394.09634 |
| Heavy Atoms | 26 |
| Complexity | 447.0 |
Chemical Identifiers
| CAS Number | 16230-81-2 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)N(CCCl)CCCl)C=NNC(=O)C2=CN=CC=C2 |
| InChIKey | BCDGHWXBKFEHFN-UHFFFAOYSA-N |
Product Overview
Nicotinic acid, [4-[bis(2-chloroethyl)amino]-2-methoxybenzyl (CAS 16230-81-2), with molecular formula C18H20Cl2N4O2 and molecular weight 394.10 g/mol. IUPAC: N-[[4-[bis(2-chloroethyl)amino]-2-methoxyphenyl]methylideneamino]pyridine-3-carboxamide.
Chemical Property Profile of Nicotinic acid, [4-[bis(2-chloroethyl)amino]-2-methoxybenzyl
Property Insights of Nicotinic acid, [4-[bis(2-chloroethyl)amino]-2-methoxybenzyl
The XLogP value of 3.0 indicates that Nicotinic acid, [4-[bis(2-chloroethyl)amino]-2-methoxybenzyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Nicotinic acid, [4-[bis(2-chloroethyl)amino]-2-methoxybenzyl. Following Lipinski's Rule of Five, Nicotinic acid, [4-[bis(2-chloroethyl)amino]-2-methoxybenzyl has 1 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 Nicotinic acid, [4-[bis(2-chloroethyl)amino]-2-methoxybenzyl?
The CAS number of Nicotinic acid, [4-[bis(2-chloroethyl)amino]-2-methoxybenzyl is 16230-81-2.
What is the molecular formula of Nicotinic acid, [4-[bis(2-chloroethyl)amino]-2-methoxybenzyl?
The molecular formula of Nicotinic acid, [4-[bis(2-chloroethyl)amino]-2-methoxybenzyl is C18H20Cl2N4O2.
What is the molecular weight of Nicotinic acid, [4-[bis(2-chloroethyl)amino]-2-methoxybenzyl?
The molecular weight of Nicotinic acid, [4-[bis(2-chloroethyl)amino]-2-methoxybenzyl is 394.10 g/mol.
Where can I buy Nicotinic acid, [4-[bis(2-chloroethyl)amino]-2-methoxybenzyl?
You can request a quote for Nicotinic acid, [4-[bis(2-chloroethyl)amino]-2-methoxybenzyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nicotinic acid, [4-[bis(2-chloroethyl)amino]-2-methoxybenzyl?
Yes, KEHONG BIO provides custom synthesis services for Nicotinic acid, [4-[bis(2-chloroethyl)amino]-2-methoxybenzyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.