![2(3H)-Benzoxazolone, 6-chloro-3-[3-[4-[(4,5-dihydro-1H-imidazol-2-yl)amino]phenyl]-3-oxopropyl]- structure](/static/products/1000/100037-17-0.webp)
2(3H)-Benzoxazolone, 6-chloro-3-[3-[4-[(4,5-dihydro-1H-imidazol-2-yl)amino]phenyl]-3-oxopropyl]-
TL;DR: 2(3H)-Benzoxazolone, 6-chloro-3-[3-[4-[(4,5-dihydro-1H-imidazol-2-yl)amino]phenyl]-3-oxopropyl]- (CAS 100037-17-0) is a chemical compound with molecular formula C19H17N5O5 and molecular weight 395.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-3-oxopropyl]-6-nitro-1,3-benzoxazol-2-one
Also Known As: 2(3H)-Benzoxazolone, 6-chloro-3-[3-[4-[(4,5-dihydro-1H-imidazol-2-yl)amino]phenyl]-3-oxopropyl]-, 3-(3-(4-((4,5-dihydro-1H-imidazol-2-yl)amino)phenyl)-3-oxopropyl)-6-nitrobenzo[d]oxazol-2(3H)-one, 3-[3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-3-oxo-propyl]-6-nitro-benzooxazol-2-one, 3-[3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-3-oxopropyl]-6-nitro-1,3-benzoxazol-2-one, 3-{3-[4-(4,5-dihydro-1h-imidazol-2-ylamino)phenyl]-3-oxopropyl}-6-nitro-1,3-benzoxazol-2(3h)-one
| Molecular Formula | C19H17N5O5 |
|---|---|
| Molecular Weight | 395.12 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 395.12296 |
| Heavy Atoms | 29 |
| Complexity | 685.0 |
Chemical Identifiers
| CAS Number | 100037-17-0 |
|---|---|
| SMILES | C1CN=C(N1)NC2=CC=C(C=C2)C(=O)CCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O |
| InChIKey | MPTBHTPJSDUCJJ-UHFFFAOYSA-N |
Product Overview
2(3H)-Benzoxazolone, 6-chloro-3-[3-[4-[(4,5-dihydro-1H-imidazol-2-yl)amino]phenyl]-3-oxopropyl]- (CAS 100037-17-0), with molecular formula C19H17N5O5 and molecular weight 395.12 g/mol. IUPAC: 3-[3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-3-oxopropyl]-6-nitro-1,3-benzoxazol-2-one.
Chemical Property Profile of 2(3H)-Benzoxazolone, 6-chloro-3-[3-[4-[(4,5-dihydro-1H-imidazol-2-yl)amino]phenyl]-3-oxopropyl]-
Property Insights of 2(3H)-Benzoxazolone, 6-chloro-3-[3-[4-[(4,5-dihydro-1H-imidazol-2-yl)amino]phenyl]-3-oxopropyl]-
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2(3H)-Benzoxazolone, 6-chloro-3-[3-[4-[(4,5-dihydro-1H-imidazol-2-yl)amino]phenyl]-3-oxopropyl]-. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2(3H)-Benzoxazolone, 6-chloro-3-[3-[4-[(4,5-dihydro-1H-imidazol-2-yl)amino]phenyl]-3-oxopropyl]-. Following Lipinski's Rule of Five, 2(3H)-Benzoxazolone, 6-chloro-3-[3-[4-[(4,5-dihydro-1H-imidazol-2-yl)amino]phenyl]-3-oxopropyl]- 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 2(3H)-Benzoxazolone, 6-chloro-3-[3-[4-[(4,5-dihydro-1H-imidazol-2-yl)amino]phenyl]-3-oxopropyl]-?
The CAS number of 2(3H)-Benzoxazolone, 6-chloro-3-[3-[4-[(4,5-dihydro-1H-imidazol-2-yl)amino]phenyl]-3-oxopropyl]- is 100037-17-0.
What is the molecular formula of 2(3H)-Benzoxazolone, 6-chloro-3-[3-[4-[(4,5-dihydro-1H-imidazol-2-yl)amino]phenyl]-3-oxopropyl]-?
The molecular formula of 2(3H)-Benzoxazolone, 6-chloro-3-[3-[4-[(4,5-dihydro-1H-imidazol-2-yl)amino]phenyl]-3-oxopropyl]- is C19H17N5O5.
What is the molecular weight of 2(3H)-Benzoxazolone, 6-chloro-3-[3-[4-[(4,5-dihydro-1H-imidazol-2-yl)amino]phenyl]-3-oxopropyl]-?
The molecular weight of 2(3H)-Benzoxazolone, 6-chloro-3-[3-[4-[(4,5-dihydro-1H-imidazol-2-yl)amino]phenyl]-3-oxopropyl]- is 395.12 g/mol.
Where can I buy 2(3H)-Benzoxazolone, 6-chloro-3-[3-[4-[(4,5-dihydro-1H-imidazol-2-yl)amino]phenyl]-3-oxopropyl]-?
You can request a quote for 2(3H)-Benzoxazolone, 6-chloro-3-[3-[4-[(4,5-dihydro-1H-imidazol-2-yl)amino]phenyl]-3-oxopropyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2(3H)-Benzoxazolone, 6-chloro-3-[3-[4-[(4,5-dihydro-1H-imidazol-2-yl)amino]phenyl]-3-oxopropyl]-?
Yes, KEHONG BIO provides custom synthesis services for 2(3H)-Benzoxazolone, 6-chloro-3-[3-[4-[(4,5-dihydro-1H-imidazol-2-yl)amino]phenyl]-3-oxopropyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.