苯丁酸氮芥N-氧化物
TL;DR: 苯丁酸氮芥N-氧化物 (CAS 35915-68-5) is a chemical compound with molecular formula C21H27Cl2NO6S and molecular weight 491.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯丁酸氮芥N-氧化物
4-(3-carboxypropyl)-N,N-bis(2-chloroethyl)benzeneamine oxide;4-methylbenzenesulfonic acid
Also Known As: Chlorambucil N-oxide, ethermethylene chloride, 4-(3-Carboxypropyl)-N,N-bis(2-chloroethyl)benzen-1-amine N-oxide--4-methylbenzene-1-sulfonic acid (1/1), [4-(3-carboxypropyl)phenyl]-bis(2-chloroethyl)-oxido-azanium; 4-methylbenzenesulfonic acid, 4-{4-[bis(2-chloroethyl)nitroryl]phenyl}butanoic acid 4-methylbenzenesulfonate(1:1)
| Molecular Formula | C21H27Cl2NO6S |
|---|---|
| Molecular Weight | 491.09 g/mol |
| LogP | 4.62 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 491.09363 |
| Heavy Atoms | 31 |
| Complexity | 494.0 |
Chemical Identifiers
| CAS Number | 35915-68-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC(=CC=C1CCCC(=O)O)[N+](CCCl)(CCCl)[O-] |
| InChIKey | SUFPBNSEAYYRFN-UHFFFAOYSA-N |
Product Overview
苯丁酸氮芥N-氧化物 (CAS 35915-68-5), with molecular formula C21H27Cl2NO6S and molecular weight 491.09 g/mol. IUPAC: 4-(3-carboxypropyl)-N,N-bis(2-chloroethyl)benzeneamine oxide;4-methylbenzenesulfonic acid.
Chemical Property Profile of 苯丁酸氮芥N-氧化物
Property Insights of 苯丁酸氮芥N-氧化物
The XLogP value of 4.62 indicates that 苯丁酸氮芥N-氧化物 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 苯丁酸氮芥N-氧化物. Following Lipinski's Rule of Five, 苯丁酸氮芥N-氧化物 has 2 hydrogen bond donor(s) and 6 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 苯丁酸氮芥N-氧化物?
The CAS number of 苯丁酸氮芥N-氧化物 is 35915-68-5.
What is the molecular formula of 苯丁酸氮芥N-氧化物?
The molecular formula of 苯丁酸氮芥N-氧化物 is C21H27Cl2NO6S.
What is the molecular weight of 苯丁酸氮芥N-氧化物?
The molecular weight of 苯丁酸氮芥N-氧化物 is 491.09 g/mol.
Where can I buy 苯丁酸氮芥N-氧化物?
You can request a quote for 苯丁酸氮芥N-氧化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯丁酸氮芥N-氧化物?
Yes, KEHONG BIO provides custom synthesis services for 苯丁酸氮芥N-氧化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.