5-Hydroxy-6-(N,N-bis(2-chloroethyl)aminomethyl)naphthalene-1,8-carbolactone
TL;DR: 5-Hydroxy-6-(N,N-bis(2-chloroethyl)aminomethyl)naphthalene-1,8-carbolactone (CAS 134274-45-6) is a chemical compound with molecular formula C16H15Cl2NO3 and molecular weight 339.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-[bis(2-chloroethyl)aminomethyl]-9-hydroxy-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-3-one
Also Known As: 5-Hcanc, 5-Hydroxy-6-(N,N-bis(2-chloroethyl)aminomethyl)naphthalene-1,8-carbolactone, 2H-Naphtho(1,8-bc)furan-2-one, 7-((bis(2-chloroethyl)amino)ethyl)-6-hydroxy-, 2H-Naphtho(1,8-bc)furan-2-one,7-((bis(2-chloroethyl)amino)ethyl)-6-hydroxy, 7-{[Bis(2-chloroethyl)amino]methyl}-6-hydroxy-2H-naphtho[1,8-bc]furan-2-one
| Molecular Formula | C16H15Cl2NO3 |
|---|---|
| Molecular Weight | 339.04 g/mol |
| LogP | 3.3576 |
| Topological Polar Surface Area | 49.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 339.0429 |
| Heavy Atoms | 22 |
| Complexity | 726.89294 |
Chemical Identifiers
| CAS Number | 134274-45-6 |
|---|---|
| SMILES | C1=CC2=C(C(=CC3=C2C(=C1)C(=O)O3)CN(CCCl)CCCl)O |
Product Overview
5-Hydroxy-6-(N,N-bis(2-chloroethyl)aminomethyl)naphthalene-1,8-carbolactone (CAS 134274-45-6), with molecular formula C16H15Cl2NO3 and molecular weight 339.04 g/mol. IUPAC: 10-[bis(2-chloroethyl)aminomethyl]-9-hydroxy-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-3-one.
Chemical Property Profile of 5-Hydroxy-6-(N,N-bis(2-chloroethyl)aminomethyl)naphthalene-1,8-carbolactone
Property Insights of 5-Hydroxy-6-(N,N-bis(2-chloroethyl)aminomethyl)naphthalene-1,8-carbolactone
The XLogP value of 3.3576 indicates that 5-Hydroxy-6-(N,N-bis(2-chloroethyl)aminomethyl)naphthalene-1,8-carbolactone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.77 Ų, 5-Hydroxy-6-(N,N-bis(2-chloroethyl)aminomethyl)naphthalene-1,8-carbolactone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Hydroxy-6-(N,N-bis(2-chloroethyl)aminomethyl)naphthalene-1,8-carbolactone has 1 hydrogen bond donor(s) and 4 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 5-Hydroxy-6-(N,N-bis(2-chloroethyl)aminomethyl)naphthalene-1,8-carbolactone?
The CAS number of 5-Hydroxy-6-(N,N-bis(2-chloroethyl)aminomethyl)naphthalene-1,8-carbolactone is 134274-45-6.
What is the molecular formula of 5-Hydroxy-6-(N,N-bis(2-chloroethyl)aminomethyl)naphthalene-1,8-carbolactone?
The molecular formula of 5-Hydroxy-6-(N,N-bis(2-chloroethyl)aminomethyl)naphthalene-1,8-carbolactone is C16H15Cl2NO3.
What is the molecular weight of 5-Hydroxy-6-(N,N-bis(2-chloroethyl)aminomethyl)naphthalene-1,8-carbolactone?
The molecular weight of 5-Hydroxy-6-(N,N-bis(2-chloroethyl)aminomethyl)naphthalene-1,8-carbolactone is 339.04 g/mol.
Where can I buy 5-Hydroxy-6-(N,N-bis(2-chloroethyl)aminomethyl)naphthalene-1,8-carbolactone?
You can request a quote for 5-Hydroxy-6-(N,N-bis(2-chloroethyl)aminomethyl)naphthalene-1,8-carbolactone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Hydroxy-6-(N,N-bis(2-chloroethyl)aminomethyl)naphthalene-1,8-carbolactone?
Yes, KEHONG BIO provides custom synthesis services for 5-Hydroxy-6-(N,N-bis(2-chloroethyl)aminomethyl)naphthalene-1,8-carbolactone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.