![(14aS)-2,3,8,9,10,11-hexahydro-1H-pyrrolo[1'',2'':1',2'][1,4]diazepino[5',6':4,5]thieno[2,3-b]quinoline-5,14(13H,14aH)-dione structure](/static/products/1212/1212156-98-3.webp)
(14aS)-2,3,8,9,10,11-hexahydro-1H-pyrrolo[1'',2'':1',2'][1,4]diazepino[5',6':4,5]thieno[2,3-b]quinoline-5,14(13H,14aH)-dione
TL;DR: (14aS)-2,3,8,9,10,11-hexahydro-1H-pyrrolo[1'',2'':1',2'][1,4]diazepino[5',6':4,5]thieno[2,3-b]quinoline-5,14(13H,14aH)-dione (CAS 1212156-98-3) is a chemical compound with molecular formula C17H17N3O2S and molecular weight 327.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(19S)-12-thia-10,15,21-triazapentacyclo[11.8.0.02,11.04,9.015,19]henicosa-1(13),2(11),3,9-tetraene-14,20-dione
Also Known As: (14aS)-2,3,8,9,10,11-hexahydro-1H-pyrrolo[1'',2'':1',2'][1,4]diazepino[5',6':4,5]thieno[2,3-b]quinoline-5,14(13H,14aH)-dione, A4065/0173231, (19S)-12-thia-10,15,21-triazapentacyclo[11.8.0.0^{2,11}.0^{4,9}.0^{15,19}]henicosa-1(13),2(11),3,9-tetraene-14,20-dione, (19S)-12-Thia-10,15,21-triazapentacyclo[11.8.0.02,11.04,9.015,19]henicosa-1(13),2(11),3,9-tetraene-14,20-dione
| Molecular Formula | C17H17N3O2S |
|---|---|
| Molecular Weight | 327.10 g/mol |
| LogP | 2.7318 |
| Topological Polar Surface Area | 62.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 327.10416 |
| Heavy Atoms | 23 |
| Complexity | 857.1308 |
Chemical Identifiers
| CAS Number | 1212156-98-3 |
|---|---|
| SMILES | C1CCC2=NC3=C(C=C2C1)C4=C(S3)C(=O)N5CCC[C@H]5C(=O)N4 |
Product Overview
(14aS)-2,3,8,9,10,11-hexahydro-1H-pyrrolo[1'',2'':1',2'][1,4]diazepino[5',6':4,5]thieno[2,3-b]quinoline-5,14(13H,14aH)-dione (CAS 1212156-98-3), with molecular formula C17H17N3O2S and molecular weight 327.10 g/mol. IUPAC: (19S)-12-thia-10,15,21-triazapentacyclo[11.8.0.02,11.04,9.015,19]henicosa-1(13),2(11),3,9-tetraene-14,20-dione.
Chemical Property Profile of (14aS)-2,3,8,9,10,11-hexahydro-1H-pyrrolo[1'',2'':1',2'][1,4]diazepino[5',6':4,5]thieno[2,3-b]quinoline-5,14(13H,14aH)-dione
Property Insights of (14aS)-2,3,8,9,10,11-hexahydro-1H-pyrrolo[1'',2'':1',2'][1,4]diazepino[5',6':4,5]thieno[2,3-b]quinoline-5,14(13H,14aH)-dione
The XLogP value of 2.7318 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (14aS)-2,3,8,9,10,11-hexahydro-1H-pyrrolo[1'',2'':1',2'][1,4]diazepino[5',6':4,5]thieno[2,3-b]quinoline-5,14(13H,14aH)-dione. The TPSA of 62.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (14aS)-2,3,8,9,10,11-hexahydro-1H-pyrrolo[1'',2'':1',2'][1,4]diazepino[5',6':4,5]thieno[2,3-b]quinoline-5,14(13H,14aH)-dione. Following Lipinski's Rule of Five, (14aS)-2,3,8,9,10,11-hexahydro-1H-pyrrolo[1'',2'':1',2'][1,4]diazepino[5',6':4,5]thieno[2,3-b]quinoline-5,14(13H,14aH)-dione 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 (14aS)-2,3,8,9,10,11-hexahydro-1H-pyrrolo[1'',2'':1',2'][1,4]diazepino[5',6':4,5]thieno[2,3-b]quinoline-5,14(13H,14aH)-dione?
The CAS number of (14aS)-2,3,8,9,10,11-hexahydro-1H-pyrrolo[1'',2'':1',2'][1,4]diazepino[5',6':4,5]thieno[2,3-b]quinoline-5,14(13H,14aH)-dione is 1212156-98-3.
What is the molecular formula of (14aS)-2,3,8,9,10,11-hexahydro-1H-pyrrolo[1'',2'':1',2'][1,4]diazepino[5',6':4,5]thieno[2,3-b]quinoline-5,14(13H,14aH)-dione?
The molecular formula of (14aS)-2,3,8,9,10,11-hexahydro-1H-pyrrolo[1'',2'':1',2'][1,4]diazepino[5',6':4,5]thieno[2,3-b]quinoline-5,14(13H,14aH)-dione is C17H17N3O2S.
What is the molecular weight of (14aS)-2,3,8,9,10,11-hexahydro-1H-pyrrolo[1'',2'':1',2'][1,4]diazepino[5',6':4,5]thieno[2,3-b]quinoline-5,14(13H,14aH)-dione?
The molecular weight of (14aS)-2,3,8,9,10,11-hexahydro-1H-pyrrolo[1'',2'':1',2'][1,4]diazepino[5',6':4,5]thieno[2,3-b]quinoline-5,14(13H,14aH)-dione is 327.10 g/mol.
Where can I buy (14aS)-2,3,8,9,10,11-hexahydro-1H-pyrrolo[1'',2'':1',2'][1,4]diazepino[5',6':4,5]thieno[2,3-b]quinoline-5,14(13H,14aH)-dione?
You can request a quote for (14aS)-2,3,8,9,10,11-hexahydro-1H-pyrrolo[1'',2'':1',2'][1,4]diazepino[5',6':4,5]thieno[2,3-b]quinoline-5,14(13H,14aH)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (14aS)-2,3,8,9,10,11-hexahydro-1H-pyrrolo[1'',2'':1',2'][1,4]diazepino[5',6':4,5]thieno[2,3-b]quinoline-5,14(13H,14aH)-dione?
Yes, KEHONG BIO provides custom synthesis services for (14aS)-2,3,8,9,10,11-hexahydro-1H-pyrrolo[1'',2'':1',2'][1,4]diazepino[5',6':4,5]thieno[2,3-b]quinoline-5,14(13H,14aH)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.