NSC 249286
TL;DR: NSC 249286 (CAS 75776-08-8) is a chemical compound with molecular formula C23H27ClN2O5S and molecular weight 478.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethyl)-3-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)urea
Also Known As: Urea, 1-(2-chloroethyl)-3-(10-methylthio-9-oxo-1,2,3-trimethoxy-5,6,7,9-tetrahydrobenzo(a)heptalen-7-yl)-, urea, n-(2-chloroethyl)-n'-[5,6,7,9-tetrahydro-1,2,3-trimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]-, 1- -3-[10-methylthio-9-oxo-1,2,3-trimethoxy-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]urea, 1-(2-chloroethyl)-3-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)urea, 1-(2-Chloroethyl)-3-[10-methylthio-9-oxo-1,2,3-trimethoxy-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]urea
| Molecular Formula | C23H27ClN2O5S |
|---|---|
| Molecular Weight | 478.13 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 478.13293 |
| Heavy Atoms | 32 |
| Complexity | 799.0 |
Chemical Identifiers
| CAS Number | 75776-08-8 |
|---|---|
| SMILES | COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NC(=O)NCCCl)OC)OC |
| InChIKey | JAWNITNZPHEEQL-UHFFFAOYSA-N |
Product Overview
NSC 249286 (CAS 75776-08-8), with molecular formula C23H27ClN2O5S and molecular weight 478.13 g/mol. IUPAC: 1-(2-chloroethyl)-3-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)urea.
Chemical Property Profile of NSC 249286
Property Insights of NSC 249286
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NSC 249286. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for NSC 249286. Following Lipinski's Rule of Five, NSC 249286 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 NSC 249286?
The CAS number of NSC 249286 is 75776-08-8.
What is the molecular formula of NSC 249286?
The molecular formula of NSC 249286 is C23H27ClN2O5S.
What is the molecular weight of NSC 249286?
The molecular weight of NSC 249286 is 478.13 g/mol.
Where can I buy NSC 249286?
You can request a quote for NSC 249286 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NSC 249286?
Yes, KEHONG BIO provides custom synthesis services for NSC 249286 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.