1hwr
TL;DR: 1hwr (CAS 153223-14-4) is a chemical compound with molecular formula C25H30N2O3 and molecular weight 406.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(prop-2-enyl)-1,3-diazepan-2-one
Also Known As: 1hwr, XK216, 1,3-Diazepin-2-one deriv., [4-R-(4-ALPHA,6-BETA,7-BETA]-HEXAHYDRO-5,6-DI(HYDROXY)-1,3-DI(ALLYL)-4,7-BISPHENYLMETHYL)-2H-1,3-DIAZEPINONE, 2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-4,7-bis(phenylmethyl)-1,3-di-2-propenyl-, (4R,5S,6S,7R)-
| Molecular Formula | C25H30N2O3 |
|---|---|
| Molecular Weight | 406.23 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 64.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 406.22565 |
| Heavy Atoms | 30 |
| Complexity | 521.0 |
Chemical Identifiers
| CAS Number | 153223-14-4 |
|---|---|
| SMILES | C=CCN1[C@@H]([C@@H]([C@H]([C@H](N(C1=O)CC=C)CC2=CC=CC=C2)O)O)CC3=CC=CC=C3 |
| InChIKey | IWJSQELMWLOYSO-LWSSLDFYSA-N |
Product Overview
1hwr (CAS 153223-14-4), with molecular formula C25H30N2O3 and molecular weight 406.23 g/mol. IUPAC: (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(prop-2-enyl)-1,3-diazepan-2-one.
Chemical Property Profile of 1hwr
Property Insights of 1hwr
The XLogP value of 3.6 indicates that 1hwr is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1hwr. Following Lipinski's Rule of Five, 1hwr has 2 hydrogen bond donor(s) and 3 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 1hwr?
The CAS number of 1hwr is 153223-14-4.
What is the molecular formula of 1hwr?
The molecular formula of 1hwr is C25H30N2O3.
What is the molecular weight of 1hwr?
The molecular weight of 1hwr is 406.23 g/mol.
Where can I buy 1hwr?
You can request a quote for 1hwr directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1hwr?
Yes, KEHONG BIO provides custom synthesis services for 1hwr and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.