![3-[(2-{4-[(1,4-Dioxa-8-aza-spiro[4.5]dec-8-yl)-imino-methyl]-benzoylimino}-3,4-dimethyl-2,3-dihydro-thiazole-5-carbonyl)-amino]-propionic acid (PSA0613) structure](/static/products/186/186822-35-5.png)
3-[(2-{4-[(1,4-Dioxa-8-aza-spiro[4.5]dec-8-yl)-imino-methyl]-benzoylimino}-3,4-dimethyl-2,3-dihydro-thiazole-5-carbonyl)-amino]-propionic acid (PSA0613)
TL;DR: 3-[(2-{4-[(1,4-Dioxa-8-aza-spiro[4.5]dec-8-yl)-imino-methyl]-benzoylimino}-3,4-dimethyl-2,3-dihydro-thiazole-5-carbonyl)-amino]-propionic acid (PSA0613) (CAS 186822-35-5) is a chemical compound with molecular formula C24H29N5O6S and molecular weight 515.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[2-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carboximidoyl)benzoyl]imino-3,4-dimethyl-1,3-thiazole-5-carbonyl]amino]propanoic acid
Also Known As: 3-[(2-{4-[(1,4-Dioxa-8-aza-spiro[4.5]dec-8-yl)-imino-methyl]-benzoylimino}-3,4-dimethyl-2,3-dihydro-thiazole-5-carbonyl)-amino]-propionic acid (PSA0613)
| Molecular Formula | C24H29N5O6S |
|---|---|
| Molecular Weight | 515.18 g/mol |
| LogP | 1.50489 |
| Topological Polar Surface Area | 146.31 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 515.18384 |
| Heavy Atoms | 36 |
| Complexity | 1232.6786 |
Chemical Identifiers
| CAS Number | 186822-35-5 |
|---|---|
| SMILES | CC1=C(SC(=NC(=O)C2=CC=C(C=C2)C(=N)N3CCC4(CC3)OCCO4)N1C)C(=O)NCCC(=O)O |
Product Overview
3-[(2-{4-[(1,4-Dioxa-8-aza-spiro[4.5]dec-8-yl)-imino-methyl]-benzoylimino}-3,4-dimethyl-2,3-dihydro-thiazole-5-carbonyl)-amino]-propionic acid (PSA0613) (CAS 186822-35-5), with molecular formula C24H29N5O6S and molecular weight 515.18 g/mol. IUPAC: 3-[[2-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carboximidoyl)benzoyl]imino-3,4-dimethyl-1,3-thiazole-5-carbonyl]amino]propanoic acid.
Chemical Property Profile of 3-[(2-{4-[(1,4-Dioxa-8-aza-spiro[4.5]dec-8-yl)-imino-methyl]-benzoylimino}-3,4-dimethyl-2,3-dihydro-thiazole-5-carbonyl)-amino]-propionic acid (PSA0613)
Property Insights of 3-[(2-{4-[(1,4-Dioxa-8-aza-spiro[4.5]dec-8-yl)-imino-methyl]-benzoylimino}-3,4-dimethyl-2,3-dihydro-thiazole-5-carbonyl)-amino]-propionic acid (PSA0613)
The XLogP value of 1.50489 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(2-{4-[(1,4-Dioxa-8-aza-spiro[4.5]dec-8-yl)-imino-methyl]-benzoylimino}-3,4-dimethyl-2,3-dihydro-thiazole-5-carbonyl)-amino]-propionic acid (PSA0613). The TPSA of 146.31 Ų indicates high polarity, suggesting 3-[(2-{4-[(1,4-Dioxa-8-aza-spiro[4.5]dec-8-yl)-imino-methyl]-benzoylimino}-3,4-dimethyl-2,3-dihydro-thiazole-5-carbonyl)-amino]-propionic acid (PSA0613) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-[(2-{4-[(1,4-Dioxa-8-aza-spiro[4.5]dec-8-yl)-imino-methyl]-benzoylimino}-3,4-dimethyl-2,3-dihydro-thiazole-5-carbonyl)-amino]-propionic acid (PSA0613) has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[(2-{4-[(1,4-Dioxa-8-aza-spiro[4.5]dec-8-yl)-imino-methyl]-benzoylimino}-3,4-dimethyl-2,3-dihydro-thiazole-5-carbonyl)-amino]-propionic acid (PSA0613)?
The CAS number of 3-[(2-{4-[(1,4-Dioxa-8-aza-spiro[4.5]dec-8-yl)-imino-methyl]-benzoylimino}-3,4-dimethyl-2,3-dihydro-thiazole-5-carbonyl)-amino]-propionic acid (PSA0613) is 186822-35-5.
What is the molecular formula of 3-[(2-{4-[(1,4-Dioxa-8-aza-spiro[4.5]dec-8-yl)-imino-methyl]-benzoylimino}-3,4-dimethyl-2,3-dihydro-thiazole-5-carbonyl)-amino]-propionic acid (PSA0613)?
The molecular formula of 3-[(2-{4-[(1,4-Dioxa-8-aza-spiro[4.5]dec-8-yl)-imino-methyl]-benzoylimino}-3,4-dimethyl-2,3-dihydro-thiazole-5-carbonyl)-amino]-propionic acid (PSA0613) is C24H29N5O6S.
What is the molecular weight of 3-[(2-{4-[(1,4-Dioxa-8-aza-spiro[4.5]dec-8-yl)-imino-methyl]-benzoylimino}-3,4-dimethyl-2,3-dihydro-thiazole-5-carbonyl)-amino]-propionic acid (PSA0613)?
The molecular weight of 3-[(2-{4-[(1,4-Dioxa-8-aza-spiro[4.5]dec-8-yl)-imino-methyl]-benzoylimino}-3,4-dimethyl-2,3-dihydro-thiazole-5-carbonyl)-amino]-propionic acid (PSA0613) is 515.18 g/mol.
Where can I buy 3-[(2-{4-[(1,4-Dioxa-8-aza-spiro[4.5]dec-8-yl)-imino-methyl]-benzoylimino}-3,4-dimethyl-2,3-dihydro-thiazole-5-carbonyl)-amino]-propionic acid (PSA0613)?
You can request a quote for 3-[(2-{4-[(1,4-Dioxa-8-aza-spiro[4.5]dec-8-yl)-imino-methyl]-benzoylimino}-3,4-dimethyl-2,3-dihydro-thiazole-5-carbonyl)-amino]-propionic acid (PSA0613) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(2-{4-[(1,4-Dioxa-8-aza-spiro[4.5]dec-8-yl)-imino-methyl]-benzoylimino}-3,4-dimethyl-2,3-dihydro-thiazole-5-carbonyl)-amino]-propionic acid (PSA0613)?
Yes, KEHONG BIO provides custom synthesis services for 3-[(2-{4-[(1,4-Dioxa-8-aza-spiro[4.5]dec-8-yl)-imino-methyl]-benzoylimino}-3,4-dimethyl-2,3-dihydro-thiazole-5-carbonyl)-amino]-propionic acid (PSA0613) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.