![methyl (5-(3-(hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)propanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate dihydrochloride hydrate structure](/static/products/464/464877-13-2.png)
methyl (5-(3-(hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)propanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate dihydrochloride hydrate
TL;DR: methyl (5-(3-(hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)propanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate dihydrochloride hydrate (CAS 464877-13-2) is a chemical compound with molecular formula C26H36Cl2N4O4 and molecular weight 538.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-[11-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propanoyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate;hydrate;dihydrochloride
Also Known As: methyl (5-(3-(hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)propanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate dihydrochloride hydrate, methyl N-[11-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propanoyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate hydrate dihydrochloride
| Molecular Formula | C26H36Cl2N4O4 |
|---|---|
| Molecular Weight | 538.21 g/mol |
| LogP | 3.8172 |
| Topological Polar Surface Area | 96.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 538.21136 |
| Heavy Atoms | 36 |
| Complexity | 1054.3542 |
Chemical Identifiers
| CAS Number | 464877-13-2 |
|---|---|
| SMILES | COC(=O)NC1=CC2=C(CCC3=CC=CC=C3N2C(=O)CCN4CCN5CCCC5C4)C=C1.O.Cl.Cl |
Product Overview
methyl (5-(3-(hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)propanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate dihydrochloride hydrate (CAS 464877-13-2), with molecular formula C26H36Cl2N4O4 and molecular weight 538.21 g/mol. IUPAC: methyl N-[11-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propanoyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate;hydrate;dihydrochloride.
Chemical Property Profile of methyl (5-(3-(hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)propanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate dihydrochloride hydrate
Property Insights of methyl (5-(3-(hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)propanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate dihydrochloride hydrate
The XLogP value of 3.8172 indicates that methyl (5-(3-(hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)propanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate dihydrochloride hydrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.62 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (5-(3-(hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)propanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate dihydrochloride hydrate. Following Lipinski's Rule of Five, methyl (5-(3-(hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)propanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate dihydrochloride hydrate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl (5-(3-(hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)propanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate dihydrochloride hydrate?
The CAS number of methyl (5-(3-(hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)propanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate dihydrochloride hydrate is 464877-13-2.
What is the molecular formula of methyl (5-(3-(hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)propanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate dihydrochloride hydrate?
The molecular formula of methyl (5-(3-(hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)propanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate dihydrochloride hydrate is C26H36Cl2N4O4.
What is the molecular weight of methyl (5-(3-(hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)propanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate dihydrochloride hydrate?
The molecular weight of methyl (5-(3-(hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)propanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate dihydrochloride hydrate is 538.21 g/mol.
Where can I buy methyl (5-(3-(hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)propanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate dihydrochloride hydrate?
You can request a quote for methyl (5-(3-(hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)propanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate dihydrochloride hydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (5-(3-(hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)propanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate dihydrochloride hydrate?
Yes, KEHONG BIO provides custom synthesis services for methyl (5-(3-(hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)propanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate dihydrochloride hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.